81. 19-0796
Mn0.345i0.316Si0.340
Triklin
Dexp Dcal d(D) h k l
3.2600 3.2610 -.0010 -1 2 0
2.4090 2.4099 -.0009 2 1 2
2.3470 2.3487 -.0017 2 -1 2
2.2070 2.2079 -.0009 -1 3 0
2.1560 2.1556 .0004 0 2 2
2.1370 2.1371 -.0001 1 2 2
2.0860 2.0859 .0001 2 3 0
2.0490 2.0476 .0014 4 1 2
2.0250 2.0247 .0003 6 1 0
2.0140 2.0133 .0007 1 -3 1
1.8870 1.8875 -.0005 -4 -1 2
1.7880 1.7879 .0001 -7 1 0
A= 12.9077 DA= .0006
B= 6.699 DB= .001
C= 5.407 DC= .001
GAMMA= 91.62 DGAMMA= .05
BETA = 86.35 DBETA = .07
ALPHA= 87.01 DALPHA= .04
V=465.2
82. 19-1369
TiF2Cl2
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
3.8000 3.7977 .0023 0 1 1
2.9800 2.9821 -.0021 2 0 0
2.7600 2.7598 .0002 0 0 3
2.0700 2.0698 .0002 0 0 4
2.0200 2.0190 .0010 -1 0 4
1.8900 1.8907 -.0007 3 0 1
1.8000 1.8026 -.0026 3 1 0
1.6900 1.6896 .0004 0 2 3
1.4500 1.4498 .0002 -4 0 2
1.3900 1.3899 .0001 2 0 5
1.3600 1.3601 -.0001 4 0 2
1.3000 1.3002 -.0002 -1 2 5
a= 5.994 b= 4.27378 c= 8.321 beta= 95.73
da=.002 db= .0001 dc= .003 dbet=.03
V=211.9
83. 19-1616
C18H12Cl2N2O2Ti
Triklin
Dexp Dcal d(D) h k l
7.0600 7.0636 -.0036 0 1 1
7.0000 7.0032 -.0032 0 -1 1
6.6100 6.6098 .0002 -1 0 1
6.0800 6.0900 -.0100 1 1 0
3.9000 3.9012 -.0012 0 2 0
6.0000 5.9932 .0068 -1 -1 1
5.6600 5.6581 .0019 0 1 2
4.6100 4.6110 -.0010 -1 0 3
4.1200 4.1204 -.0004 -1 1 2
3.6700 3.6692 .0008 -1 -2 2
3.5000 3.5016 -.0016 0 -2 2
3.4000 3.4029 -.0029 -2 0 1
A= 7.158 DA= .008
B= 8.200 DB= .002
C= 16.495 DC= .003
GAMMA= 72.09 DGAMMA= .02
BETA = 99.98 DBETA = .01
ALPHA= 92.47 DALPHA= .01
V= 907.4
84. 19-1725
C10H16N3O8Ti*6H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.4900 7.4751 .0149 0 1 0
6.2300 6.2272 .0028 1 1 0
5.2100 5.2136 -.0036 1 1 1
4.7400 4.7441 -.0041 2 0 1
4.1300 4.1305 -.0005 -1 1 2
3.7500 3.7523 -.0023 3 0 0
3.2900 3.2886 .0014 -3 1 1
2.8300 2.8285 .0015 2 0 3
2.5500 2.5496 .0004 0 2 3
2.3600 2.3606 -.0006 1 1 4
1.8100 1.8100 -.0000 1 4 1
a= 11.325 b= 7.475 c= 10.524 beta= 96.29
da=.007 db=.002 dc=.008 dbeta=.09
V= 885.6
85. 19-1726
C10H12BaClN2O8Ti*8H2O
Triklin
Dexp Dcal d(D) h k l
9.6000 9.6012 -.0012 1 0 0
7.8900 7.8960 -.0060 -1 1 0
6.5100 6.5055 .0045 -1 1 1
5.7800 5.7787 .0013 1 1 0
5.1500 5.1576 -.0076 1 -1 1
4.9000 4.9012 -.0012 -2 1 0
4.0700 4.0703 -.0003 -1 1 2
3.5600 3.5613 -.0013 1 1 2
3.2600 3.2579 .0021 -3 1 1
2.8800 2.8791 .0009 2 1 2
2.6800 2.6801 -.0001 1 3 1
2.5900 2.5902 -.0002 -3 0 2
A= 10.1484 DA= .0007
B= 9.820 DB= .002
C= 8.553 DC= .009
GAMMA=108.73 DGAMMA= .02
BETA = 96.9247 DBETA = .0007
ALPHA= 75.83 DALPHA= .05
V= 781.9
86. 19-1727
C10H24BaN4O16Ti2*10H2O
Triklin
Dexp Dcal d(D) h k l
8.1800 8.1795 .0005 1 0 0
5.8200 5.8192 .0008 -1 1 0
4.7400 4.7393 .0007 1 -1 2
4.0400 4.0378 .0022 0 0 4
3.8100 3.8095 .0005 -2 0 1
3.5400 3.5424 -.0024 2 -1 2
3.3800 3.3802 -.0002 2 1 0
3.0200 3.0199 .0001 -1 2 3
2.7000 2.7009 -.0009 1 0 6
2.5200 2.5199 .0001 1 2 5
2.3500 2.3498 .0002 1 -3 1
2.2700 2.2703 -.0003 1 3 2
2.1800 2.1798 .0002 3 1 5
1.8900 1.8900 .0000 -4 2 0
1.7100 1.7100 .0000 3 -1 8
1.5700 1.5700 .0000 -5 2 0
A= 8.3557 DA= .0004
B= 7.3813 DB= .0001
C= 16.533 DC= .003
GAMMA= 96.186 DGAMMA= .006
BETA = 80.869 DBETA = .004
ALPHA= 82.813 DALPHA= .003
V= 990.3
87. 19-1728
C10H12CsN2O8Ti*6H2O
Triklin
Dexp Dcal d(D) h k l
6.1500 6.1488 .0012 0 1 1
5.1800 5.1796 .0004 -1 1 0
4.7900 4.7872 .0028 0 -1 1
4.0400 4.0407 -.0007 -1 -1 1
3.5200 3.5201 -.0001 -2 1 0
3.3700 3.3685 .0015 2 -1 1
3.0800 3.0797 .0003 -2 -1 1
2.8300 2.8297 .0003 2 1 3
2.5800 2.5800 .0000 3 -1 1
2.4000 2.3995 .0005 -2 -1 2
2.2200 2.2202 -.0002 2 1 4
2.1200 2.1203 -.0003 2 3 3
A= 9.2177 DA= .0008
B= 7.363 DB= .003
C= 9.018 DC= .003
GAMMA= 78.91 DGAMMA= .02
BETA = 71.22 DBETA = .05
ALPHA= 72.97 DALPHA= .03
V= 550.7
88. 19-1732
C10H13N2O8Ti*3H2O
Triklin
Dexp Dcal d(D) h k l
6.7500 6.7495 .0005 1 0 0
6.1500 6.1532 -.0032 0 1 0
5.5300 5.5247 .0053 -1 0 1
5.0900 5.0964 -.0064 0 -1 1
4.5300 4.5301 -.0001 -1 -1 1
3.7800 3.7899 -.0099 -1 1 1
3.5200 3.5197 .0003 0 0 2
3.3000 3.3003 -.0003 -1 -1 2
3.1300 3.1180 .0120 -2 -1 1
2.9000 2.8998 .0002 -2 1 0
2.7600 2.7623 -.0023 -2 0 2
2.6200 2.6201 -.0001 1 -2 1
A= 6.952 DA= .001
B= 6.2762 DB= .0004
C= 7.356 DC= .005
GAMMA= 84.75 DGAMMA= .02
BETA =103.6 DBETA = .1
ALPHA=101.03 DALPHA= .01
V= 305.9
89. 19-1733
C10H12LiN2O8Ti*4H2O
Triklin
Dexp Dcal d(D) h k l
7.8900 7.8748 .0152 0 1 0
6.0600 6.0596 .0004 -1 0 1
5.4000 5.3970 .0030 0 -1 2
4.5300 4.5268 .0032 1 -1 1
4.1100 4.1004 .0096 0 -2 1
3.8600 3.8545 .0055 1 0 2
3.6700 3.6677 .0023 -1 1 2
3.4200 3.4296 -.0096 0 2 1
3.2100 3.2119 -.0019 -2 0 1
3.0000 3.0001 -.0001 -2 -1 2
2.8100 2.8111 -.0011 -1 0 4
2.5500 2.5495 .0005 2 0 2
A= 6.46249 DA= .00004
B= 8.24167 DB= .00006
C= 12.141 DC= .003
GAMMA= 85.5893 DGAMMA= .0067
BETA =102.39 DBETA = .02
ALPHA=107.15 DALPHA= .01
V=603.6
90. 19-1743
C10H12KN2O8Ti*6H2O
Triklin
Dexp Dcal d(D) h k l
7.6200 7.6276 -.0076 1 0 0
6.4100 6.4121 -.0021 0 1 1
5.1800 5.1765 .0035 0 -1 1
4.6900 4.6898 .0002 -1 1 0
4.1100 4.1140 -.0040 0 1 2
3.7400 3.7382 .0018 2 2 1
3.2900 3.2937 -.0037 2 2 0
3.1000 3.1027 -.0027 -2 0 1
2.7900 2.7906 -.0006 2 0 3
2.6900 2.6907 -.0007 3 1 0
2.5300 2.5297 .0003 2 3 3
2.3500 2.3499 .0001 -1 -3 1
A= 9.047 DA= .002
B= 8.711 DB= .002
C= 9.779 DC= .003
GAMMA= 64.05 DGAMMA= .02
BETA = 63.16 DBETA = .02
ALPHA= 68.43 DALPHA= .01
V= 604.2
91. 19=1744
C10H12N2O8RbTi*8H2O
Triklin
Dexp Dcal d(D) h k l
7.4900 7.4814 .0086 1 0 0
6.3700 6.3629 .0071 0 1 1
5.1800 5.1769 .0031 0 -1 1
4.7200 4.7134 .0066 1 1 1
4.1900 4.1904 -.0004 1 2 0
3.7400 3.7407 -.0007 2 0 0
3.3200 3.3186 .0014 -2 0 1
3.1000 3.1008 -.0008 1 3 0
2.8200 2.8207 -.0007 -1 -1 2
2.6000 2.5996 .0004 -2 1 2
2.4000 2.4004 -.0004 3 1 0
2.1100 2.1101 -.0001 0 -1 3
A= 7.496 DA= .001
B= 10.7270 DB= .0003
C= 6.9486 DC= .0007
GAMMA= 93.17 DGAMMA= .01
BETA = 92.48 DBETA = .01
ALPHA= 77.023 DALPHA= .001
V=543.4
92. 19-1745
C10H12N2NaO8Ti*4H2O
Triklin
Dexp Dcal d(D) h k l
7.2500 7.2424 .0076 0 1 1
6.1000 6.1041 -.0041 1 0 1
5.5000 5.5013 -.0013 0 -1 1
4.8200 4.8155 .0045 0 0 2
4.0900 4.0873 .0027 -1 -1 1
3.7700 3.7625 .0075 -1 2 1
3.5100 3.5120 -.0020 2 0 1
3.3100 3.3088 .0012 0 1 3
3.0600 3.0568 .0032 1 0 3
2.8300 2.8301 -.0001 -2 -1 1
2.6500 2.6493 .0007 -1 3 0
2.4300 2.4311 -.0011 0 -3 1
A= 7.3254 DA= .0004
B= 8.4643 DB= .0004
C= 10.035 DC= .005
GAMMA= 96.52 DGAMMA= .01
BETA = 85.89 DBETA = .02
ALPHA= 74.83 DALPHA= .01
V= 593.3
93. 19-1767
C12H18Cl12Ti3
Triklin
Dexp Dcal d(D) h k l
7.0800 7.0816 -.0016 0 1 1
6.2100 6.2133 -.0033 1 0 0
5.7900 5.7823 .0077 0 -1 1
4.8200 4.8200 .0000 1 1 0
4.2300 4.2328 -.0028 -1 2 1
3.8600 3.8732 -.0132 -1 -1 1
3.5600 3.5648 -.0048 1 2 0
3.2300 3.2305 -.0005 -1 2 2
2.9900 2.9904 -.0004 2 -1 1
2.8700 2.8675 .0025 -1 -1 2
2.7400 2.7379 .0021 2 1 1
2.6000 2.5987 .0013 0 4 0
A= 6.427 DA= .003
B= 10.9601 DB= .0008
C= 8.167 DC= .002
GAMMA=104.21 DGAMMA= .02
BETA = 88.746 DBETA = .005
ALPHA= 78.751 DALPHA= .02
V= 545.5
94. 19-1909
C36H28Cl4N4O4Ti
Triklin
Dexp Dcal d(D) h k l
7.0600 7.0564 .0036 0 1 1
6.5600 6.5554 .0046 -1 -1 1
6.3800 6.3796 .0004 0 -1 1
6.0900 6.0910 -.0010 1 1 1
5.9900 5.9894 .0006 1 0 1
5.7000 5.7037 -.0037 -2 -1 1
5.4100 5.4049 .0051 2 3 0
5.1000 5.0933 .0067 -2 -2 1
4.5700 4.5679 .0021 -1 -3 1
4.3800 4.3820 -.0020 -3 1 1
4.3300 4.3269 .0031 -2 3 0
4.1100 4.1087 .0013 1 4 1
A= 15.798 DA= .001
B= 19.088 DB= .001
C= 7.402 DC= .001
GAMMA= 78.62 DGAMMA= .01
BETA =101.27 DBETA = .02
ALPHA= 83.994 DALPHA= .007
V=2125
95. 20-0271
CeO1.6*2TiO2
Triklin
Dexp Dcal d(D) h k l
3.2800 3.2801 -.0001 0 1 1
3.2100 3.2099 .0001 -1 1 1
3.1000 3.1003 -.0003 0 -1 1
2.9380 2.9379 .0001 1 -3 0
2.7830 2.7829 .0001 -1 2 1
2.6800 2.6798 .0002 -2 2 1
2.6110 2.6105 .0005 7 0 0
2.5180 2.5188 -.0008 6 2 0
2.3730 2.3738 -.0008 -4 2 1
2.1960 2.1956 .0004 -6 1 1
2.1700 2.1705 -.0005 2 4 0
1.9650 1.9651 -.0001 7 3 0
A= 18.2845 DA= .0001
B= 8.96518 DB= .00001
C= 3.42506 DC= .00004
GAMMA= 89.717 DGAMMA= .007
BETA = 88.045 DBETA = .002
ALPHA= 85.152 DALPHA= .007
V=559.1
96. 20-0557
LaTi3O49
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.9800 3.9810 -.0010 1 1 0
3.6000 3.5995 .0005 2 0 0
3.7700 2.7695 .0005 1 1 2
2.2730 2.2731 -.0001 2 1 2
1.9540 1.9545 -.0005 1 2 2
1.7510 1.7511 -.0001 -1 2 3
1.5930 1.5927 .0003 0 3 0
1.3820 1.3819 .0001 4 1 3
1.3000 1.2998 .0002 -4 2 3
1.2330 1.2332 -.0002 5 2 0
1.1770 1.1772 -.0002 -5 1 4
1.1290 1.1292 -.0002 -3 3 4
1.0830 1.0828 .0002 -5 2 4
1.0440 1.0440 .0000 2 1 7
a= 7.2199 b= 4.7781 c= 8.0548 beta= 94.360
da= .0009 db=.0007 dc= .0002 dbeta=.002
V= 277.06
97. 20-0774
Nd2Ti3O8.7
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.9000 3.9031 -.0031 2 0 0
3.4900 3.4854 .0046 2 1 0
2.7330 2.7333 -.0003 0 1 1
2.2400 2.2407 -.0007 1 2 1
1.9310 1.9308 .0002 -3 0 1
1.7280 1.7278 .0002 -3 2 1
1.5780 1.5781 -.0001 -1 4 1
1.3680 1.3680 -.0000 -4 3 1
1.2890 1.2889 .0001 -2 5 1
1.2200 1.2200 .0000 5 3 1
1.1660 1.1660 .0000 0 4 2
1.1180 1.1181 -.0001 -5 4 1
a= 7.8069 b= 7.7438 c= 2.9215 beta= 89.26
da= .0005 db=.0001 dc=.0006 dbeta=.01
V= 176.6
98. 20-1295
SnSiO3
Rombik
Grupa 16
Dexp. Dcal. d(D) h k l
3.9000 3.9015 .0015 1 0 1
3.4900 3.4983 .0083 1 2 0
2.7330 2.7358 .0028 0 4 0
2.2400 2.2400 -.0000 1 4 1
1.9310 1.9302 -.0008 2 3 0
1.7280 1.7282 .0002 1 1 4
1.5780 1.5779 -.0001 1 3 4
1.3680 1.3679 -.0001 0 8 0
1.2890 1.2884 -.0006 2 7 0
1.2200 1.2199 -.0001 2 7 2
1.1660 1.1659 -.0001 1 7 4
1.1180 1.1180 .0000 3 5 3
1.0840 1.0841 .0001 4 1 2
1.0720 1.0723 .0003 2 9 0
a= 4.550 b= 10.9434 c= 7.584
da= .001 db= .0004 dc= .001
V= 377.6
99. 20-1307
Ti4O6Br4*12H2O
Triklin
Dexp Dcal d(D) h k l
9.9100 9.8989 .0111 1 0 0
9.1700 9.1629 .0071 0 1 0
8.4000 8.3979 .0021 0 1 1
8.0600 8.0588 .0012 -1 0 1
6.1200 6.1297 -.0097 -1 -1 1
5.0900 5.0902 -.0002 1 1 2
4.9500 4.9495 .0005 2 0 0
4.2000 4.1990 .0010 0 2 2
3.9700 3.9711 -.0011 -2 1 0
3.8600 3.8605 -.0005 2 2 0
3.8200 3.8200 .0000 -1 2 0
3.6700 3.6722 -.0022 -1 2 2
A= 10.212 DA= .003
B= 9.727 DB= .003
C= 12.45 DC= .01
GAMMA= 77.027 DGAMMA= .008
BETA = 92.49 DBETA = .05
ALPHA= 76.15 DALPHA= .06
V= 1163.9
100. 20-1959
C10H14Br2O4Ti
Triklin
Dexp Dcal d(D) h k l
7.1000 7.0990 .0010 -1 0 1
6.2900 6.2874 .0026 0 1 1
5.7900 5.7826 .0074 1 0 2
5.4500 5.4517 -.0017 0 0 2
4.1500 4.1488 .0012 -2 1 1
3.9700 3.9725 -.0025 -1 1 2
3.7600 3.7567 .0033 2 0 3
3.4400 3.4386 .0014 1 2 1
3.3300 3.3302 -.0002 4 0 1
3.1600 3.1582 .0018 1 2 2
2.8900 2.8913 -.0013 2 0 4
2.7600 2.7601 -.0001 3 0 4
A= 13.35 DA= .02
B= 7.263 DB= .002
C= 11.65 DC= .01
GAMMA= 92.03 DGAMMA= .02
BETA = 70.02 DBETA = .06
ALPHA= 85.93 DALPHA= .01
V= 1056.8
101. 20-1960
C10H14Cl2O4Ti
Triklin
Dexp Dcal d(D) h k l
6.8300 6.8274 .0026 1 0 0
6.3700 6.3709 -.0009 -1 1 0
5.8500 5.8478 .0022 0 -1 1
4.1000 4.0964 .0036 0 -1 2
3.9700 3.9707 -.0007 -1 2 0
3.8300 3.8291 .0009 -1 -1 1
3.4300 3.4282 .0018 0 0 3
3.2100 3.2120 -.0020 0 1 3
3.0600 3.0569 .0031 1 -1 3
2.7200 2.7197 .0003 -2 0 2
2.6300 2.6318 -.0018 0 2 3
2.5000 2.4983 .0017 0 3 0
A= 7.3846 DA= .0007
B= 8.0886 DB= .0009
C= 10.35 DC= .01
GAMMA=111.67 DGAMMA= .01
BETA = 85.487 DBETA = .008
ALPHA= 87.61 DALPHA= .02
V= 570.9
102. 20-1961
C10H14F2O4Ti
Triklin
Dexp Dcal d(D) h k l
7.2800 7.2722 .0078 0 -1 1
6.5400 6.5446 -.0046 0 -1 2
6.1400 6.1410 -.0010 -1 0 2
5.4600 5.4648 -.0048 -1 -1 1
5.1600 5.1609 -.0009 1 -1 2
4.2000 4.1995 .0005 1 -1 4
3.9900 3.9928 -.0028 0 -1 5
3.9000 3.9019 -.0019 -1 1 3
3.6100 3.6069 .0031 2 1 1
3.4800 3.4772 .0028 2 1 2
3.2600 3.2601 -.0001 -1 2 0
3.1500 3.1491 .0009 1 2 2
A= 8.210 DA= .005
B= 7.3935 DB= .0007
C= 21.885 DC= .006
GAMMA= 87.89 DGAMMA= .04
BETA = 83.53 DBETA = .03
ALPHA= 99.06 DALPHA= .03
V= 1301.4
103. 20-1962
C12H17Cl5N2OTi
Triklin
Dexp Dcal d(D) h k l
6.3700 6.3680 .0020 1 1 0
4.7800 4.7816 -.0016 0 -2 1
4.2800 4.2799 .0001 -1 -2 1
3.9800 3.9821 -.0021 1 -1 1
3.8100 3.8085 .0015 1 1 1
3.6300 3.6324 -.0024 1 -2 1
3.3900 3.3902 -.0002 2 1 0
3.2400 3.2432 -.0032 -2 1 0
3.1100 3.1111 -.0011 -1 -4 1
2.7450 2.7456 -.0006 -1 -1 2
2.4140 2.4129 .0011 0 2 2
2.2260 2.2256 .0004 3 2 0
A= 6.9319 DA= .0003
B= 14.1988 DB= .0007
C= 5.6870 DC= .0003
GAMMA= 83.008 DGAMMA= .004
BETA = 98.354 DBETA = .004
ALPHA=101.7644 DALPHA= .0009
V=539.7
104. 21-0197
EuTi12O19
Triklin
Dexp Dcal d(D) h k l
5.1600 5.1480 .0120 1 1 1
4.4600 4.4595 .0005 2 1 0
4.0800 4.0821 -.0021 -1 -2 1
3.7900 3.7911 -.0011 -2 0 2
3.6600 3.6610 -.0010 0 2 0
3.5300 3.5310 -.0010 -2 -2 2
3.5000 3.4987 .0013 -2 -1 3
3.4200 3.4180 .0020 2 2 0
3.3500 3.3512 -.0012 1 2 1
3.3300 3.3332 -.0032 1 0 3
3.2000 3.2005 -.0005 -3 -1 1
3.1700 3.1666 .0034 2 -1 1
A= 9.6019 DA= .0005
B= 8.173 DB= .002
C= 12.3282 DC= .0007
GAMMA= 67.3596 DGAMMA= .0007
BETA =105.15 DBETA = .01
ALPHA=108.33 DALPHA= .02
V=835.7
105. 21-9391
H2{Ti{AsO4}2}*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.7400 7.7167 .0233 1 0 1
4.3100 4.3158 -.0058 2 1 0
4.1200 4.1212 -.0012 2 1 1
3.0800 3.0810 -.0010 3 1 1
3.8600 3.8583 .0017 2 0 2
3.5100 3.5059 .0041 0 0 3
3.4900 3.4890 .0010 2 1 2
3.2100 3.2139 -.0039 -1 0 3
2.9300 2.9249 .0051 -3 1 1
2.6600 2.6607 -.0007 0 2 3
2.6300 2.6294 .0006 0 0 4
2.5800 2.5797 .0003 3 2 1
a= 10.2192 b= 8.17 c= 10.574 beta= 84.09
da= .0001 db= .01 dc= .009 dbeta=.03
V= 878.3
Triklin
Dexp Dcal d(D) h k l
7.7400 7.7409 -.0009 1 0 0
4.3100 4.3117 -.0017 1 2 1
4.1200 4.1214 -.0014 -1 0 1
3.8600 3.8586 .0014 2 2 0
3.5100 3.5109 -.0009 -2 1 0
3.4900 3.4934 -.0034 2 3 0
3.2100 3.2128 -.0028 -1 2 1
3.0800 3.0830 -.0030 -2 2 0
2.9300 2.9308 -.0008 0 -1 2
2.6600 2.6605 -.0005 1 2 2
2.6300 2.6301 -.0001 2 -1 2
2.5800 2.5803 -.0003 3 0 0
A= 8.249 DA= .004
B= 14.99 DB= .01
C= 6.0250 DC= .0009
GAMMA= 76.94 DGAMMA= .07
BETA = 76.657 DBETA = .006
ALPHA= 97.19 DALPHA= .04
V= 693.7
106. 21-0392
H2{Ti{PO4}2}*H2O
Triklin
Dexp Dcal d(D) h k l
7.5500 7.5439 .0061 1 0 0
4.2300 4.2257 .0043 1 2 0
4.0200 4.0219 -.0019 1 1 2
3.4400 3.4395 .0005 0 -1 2
3.4100 3.4088 .0012 0 3 2
3.1500 3.1508 -.0008 2 1 2
3.0300 3.0293 .0007 0 4 0
2.8800 2.8809 -.0009 0 4 2
2.6100 2.6100 .0000 0 3 3
2.5300 2.5323 -.0023 -2 1 2
2.4900 2.4878 .0022 -2 3 2
2.3800 2.3790 .0010 -1 3 3
A= 8.0106 DA= .0003
B= 12.986 DB= .003
C= 8.522 DC= .001
GAMMA=100.45 DGAMMA= .04
BETA = 76.941 DBETA = .005
ALPHA= 74.84 DALPHA= .03
V=805.9
107. 21-1232
TiH2P2O8
Triklin
Dexp Dcal d(D) h k l
7.2500 7.2530 -.0030 1 0 0
4.2500 4.2484 .0016 0 1 1
3.9800 3.9810 -.0010 0 -1 1
3.6400 3.6397 .0003 -1 -1 1
3.4200 3.4203 -.0003 0 0 2
3.0600 3.0526 .0074 2 1 0
2.7600 2.7593 .0007 -1 1 2
2.4700 2.4698 .0002 1 2 0
2.3500 2.3510 -.0010 1 2 1
2.2400 2.2413 -.0013 3 1 0
2.1400 2.1385 .0015 0 1 3
2.0100 2.0101 -.0001 -1 -1 3
A= 7.289 DA= .001
B= 5.1579 DB= .0001
C= 6.878 DC= .001
GAMMA= 86.78 DGAMMA= .01
BETA = 94.511 DBETA = .002
ALPHA= 86.40 DALPHA= .01
V= 256.8
Triklin
Dexp Dcal d(D) h k l
7.2500 7.2537 -.0037 1 0 0
4.2500 4.2470 .0030 1 1 1
3.9800 3.9770 .0030 1 -1 1
3.6400 3.6434 -.0034 -1 1 1
3.4200 3.4202 -.0002 0 2 0
3.0600 3.0618 -.0018 1 2 0
2.7600 2.7605 -.0005 1 -2 1
2.4700 2.4706 -.0006 2 2 1
2.3500 2.3505 -.0005 2 -1 2
2.2400 2.2403 -.0003 -2 2 1
2.1400 2.1387 .0013 1 3 1
2.0100 2.0110 -.0010 -3 1 1
A= 7.456 DA= .003
B= 6.8739 DB= .0008
C= 5.962 DC= .004
GAMMA= 90.261 DGAMMA= .006
BETA = 76.73 DBETA = .04
ALPHA= 84.571 DALPHA= .003
V= 295.9
108. 21-1234
TiH2P2O8*H2O
Triklin
Dexp Dcal d(D) h k l
7.6200 7.6092 .0108 0 -1 1
6.2300 6.2278 .0022 -1 1 0
4.6200 4.6227 -.0027 -1 1 2
4.2700 4.2733 -.0033 1 0 2
3.8000 3.8046 -.0046 0 -2 2
3.4400 3.4439 -.0039 -2 0 2
3.1500 3.1522 -.0022 2 2 2
2.7700 2.7685 .0015 0 2 4
2.5000 2.5005 -.0005 -3 1 0
2.3800 2.3794 .0006 2 5 2
2.2400 2.2403 -.0003 2 2 4
2.1600 2.1606 -.0006 -1 -3 4
A= 8.2251 DA= .0004
B= 13.83 DB= .01
C= 11.310 DC= .002
GAMMA= 78.17 DGAMMA= .02
BETA = 94.57 DBETA = .04
ALPHA= 77.96 DALPHA= .04
V= 1221.0
109. 21-1237
Ti29O42Cl32*110H2O
Triklin
Dexp Dcal d(D) h k l
11.3000 11.2993 .0007 1 0 0
9.8200 9.7606 .0594 -1 1 0
9.4500 9.4384 .0116 -1 0 1
9.0400 8.9896 .0504 0 -1 1
8.5600 8.5557 .0043 0 1 1
6.8800 6.8710 .0090 -1 2 0
6.6700 6.6735 -.0035 1 0 1
5.8600 5.8613 -.0013 -2 0 1
5.6800 5.6733 .0067 -2 1 1
5.5400 5.5357 .0043 -1 0 2
5.3800 5.3826 -.0026 1 -2 1
5.2100 5.2198 -.0098 -1 -1 2
A= 12.06 DA= .01
B= 15.91 DB= .03
C= 11.18 DC= .01
GAMMA= 96.24 DGAMMA= .04
BETA =109.316 DBETA = .005
ALPHA= 90.83 DALPHA= .04
V= 2009
110. 21-1238
Ti2O2Cl4*2H2O
Geksagon
Groupa 158,165,173,176,182
Dexp. Dcal. d(D) h k l
9.3000 9.3091 -.0091 1 0 0
6.3000 6.3002 -.0002 1 0 1
4.5500 4.5514 -.0014 1 1 1
4.2900 4.2789 .0111 0 0 2
4.0900 4.0889 .0011 2 0 1
3.8900 3.8878 .0022 1 0 2
3.5200 3.5185 .0015 2 1 0
3.2600 3.2542 .0058 2 1 1
2.7300 2.7274 .0026 1 0 3
2.7100 2.7177 -.0077 2 1 2
2.6880 2.6873 .0007 2 2 0
2.5680 2.5639 .0041 2 2 1
a= 10.7492 c= 8.558
da=.0007 dc=.003
V= 856.3
111. 21-1239
Ti2O3I2*6H2O
Triklin
Dexp Dcal d(D) h k l
10.3000 10.2883 .0117 1 0 0
9.5900 9.5952 -.0052 -1 1 0
8.6900 8.6916 -.0016 1 -1 1
5.2700 5.2695 .0005 1 -2 1
5.1000 5.1006 -.0006 0 2 0
4.3500 4.3458 .0042 2 -2 2
4.0900 4.0890 .0010 3 -1 1
3.9600 3.9594 .0006 2 1 0
3.8000 3.8000 -.0000 1 2 2
3.6500 3.6490 .0010 -2 3 0
3.5800 3.5804 -.0004 1 -3 1
3.4900 3.4872 .0028 -1 1 3
A= 12.340 DA= .001
B= 11.311 DB= .002
C= 13.512 DC= .001
GAMMA=114.47 DGAMMA= .05
BETA = 67.45 DBETA = .01
ALPHA= 92.60 DALPHA= .02
V= 1570.8
112. 21-1240
Ti2{SO4}3*5H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.1000 12.1306 -.0306 0 0 1
9.3800 9.3881 -.0081 1 1 0
6.6900 6.6871 .0029 2 0 0
4.8000 4.8016 -.0016 -2 2 1
4.0900 4.0899 .0001 -1 3 1
3.5000 3.5048 -.0048 -4 0 2
3.3300 3.3300 -.0000 2 2 2
3.1800 3.1801 -.0001 0 4 1
2.6210 2.6214 -.0004 5 1 0
2.4950 2.4948 .0002 1 5 1
2.4200 2.4202 -.0002 -4 4 1
2.3870 2.3863 .0007 -6 0 2
a= 14.319 b= 13.1815 c= 12.987 beta= 110.92
da= .003 db=.0005 dc=.001 dbeta=.04
V= 2289.5
113. 21-1241
Ti2{SO4}3*8H2O
Triklin
Dexp Dcal d(D) h k l
9.3000 9.2922 .0078 1 0 0
7.2600 7.2549 .0051 0 1 1
6.7800 6.7743 .0057 0 -1 1
5.0000 4.9939 .0061 -1 -1 1
4.4000 4.3962 .0038 0 -1 2
4.2300 4.2327 -.0027 0 -2 1
4.0600 4.0601 -.0001 2 1 2
3.5900 3.5899 .0001 -1 -1 2
3.4000 3.3991 .0009 2 2 0
3.3000 3.3010 -.0010 2 1 3
3.1500 3.1508 -.0008 0 -1 3
2.9160 2.9164 -.0004 -3 1 0
A= 9.979 DA= .003
B= 9.632 DB= .002
C= 11.026 DC= .008
GAMMA= 86.24 DGAMMA= .02
BETA = 68.72 DBETA = .01
ALPHA= 84.980 DALPHA= .008
V= 983.0
114. 21-1930
C30H22Br2O4Ti
Triklin
Dexp Dcal d(D) h k l
9.5600 9.5924 -.0324 0 1 1
8.8000 8.8185 -.0185 1 1 1
8.1300 8.0957 .0343 0 -1 1
6.9300 6.9669 -.0369 -1 0 1
6.4600 6.4595 .0005 -1 -1 1
6.0500 6.0545 -.0045 -1 1 1
5.6400 5.6404 -.0004 1 1 2
5.0900 5.1019 -.0119 2 2 1
4.8300 4.8318 -.0018 1 3 0
4.6300 4.6303 -.0003 0 3 1
4.4300 4.4247 .0053 -2 -1 1
4.2600 4.2596 .0004 1 3 2
A= 11.253 DA= .001
B= 15.1685 DB= .0008
C= 11.72 DC= .01
GAMMA= 70.846 DGAMMA= .007
BETA = 75.03 DBETA = .02
ALPHA= 75.97 DALPHA= .01
V= 1797.9
115. 21-1931
C30H22Cl2O4Ti
Triklin
Dexp Dcal d(D) h k l
11.0000 11.0209 -.0209 1 0 0
9.5500 9.6096 -.0596 1 1 0
8.6400 8.6219 .0181 0 0 1
7.5800 7.5633 .0167 0 -1 1
6.8800 6.8817 -.0017 -1 1 0
6.3500 6.3370 .0130 0 1 1
5.8900 5.8820 .0080 1 2 0
5.0400 5.0403 -.0003 -2 -1 1
4.8000 4.8048 -.0048 2 2 0
4.5600 4.5496 .0104 2 1 1
4.2100 4.2088 .0012 -1 -1 2
4.0400 4.0397 .0003 -1 0 2
A= 11.681 DA= .003
B= 12.250 DB= .004
C= 8.798 DC= .001
GAMMA= 70.67 DGAMMA= .05
BETA = 94.74 DBETA = .01
ALPHA=101.44 DALPHA= .04
V=1163.0
116. 21-1931
C30H22Cl2O4Ti
Triklin
Dexp Dcal d(D) h k l
11.0000 11.0209 -.0209 1 0 0
9.5500 9.6096 -.0596 1 1 0
8.6400 8.6219 .0181 0 0 1
7.5800 7.5633 .0167 0 -1 1
6.8800 6.8817 -.0017 -1 1 0
6.3500 6.3370 .0130 0 1 1
5.8900 5.8820 .0080 1 2 0
5.0400 5.0403 -.0003 -2 -1 1
4.8000 4.8048 -.0048 2 2 0
4.5600 4.5496 .0104 2 1 1
4.2100 4.2088 .0012 -1 -1 2
4.0400 4.0397 .0003 -1 0 2
A= 11.681 DA= .003
B= 12.250 DB= .004
C= 8.798 DC= .001
GAMMA= 70.67 DGAMMA= .05
BETA = 94.74 DBETA = .01
ALPHA=101.44 DALPHA= .04
V=1163.0
117. 21-1932
C20H18Cl2O4Ti
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.1000 10.1910 -.0909 1 1 0
9.3800 9.4029 -.0229 -1 0 1
7.6900 7.6823 .0077 1 0 1
7.3300 7.3269 .0031 2 0 0
6.5700 6.5095 .0605 2 1 0
6.0500 6.0372 .0128 -2 1 1
5.2100 5.2106 -.0006 1 2 1
4.8600 4.8592 .0008 -2 2 1
4.7000 4.7015 -.0015 -2 0 2
4.4400 4.4626 -.0226 -2 1 2
4.0700 4.0882 -.0182 3 0 1
3.9300 3.9282 .0018 3 1 1
a= 14.995 b= 14.182 c= 10.515 beta= 102.238
da= .005 db=.006 dc=.002 dbeta=.007
V= 2185.3
Triklin
Dexp Dcal d(D) h k l
10.1000 10.0769 .0231 1 0 0
9.3800 9.3936 -.0136 0 1 0
7.6900 7.7115 -.0215 0 1 1
7.3300 7.3331 -.0031 -1 1 1
6.5700 6.5437 .0263 -1 0 1
6.0500 6.0532 -.0032 1 1 0
5.2100 5.2146 -.0046 0 -1 1
4.8600 4.8524 .0076 1 -1 1
4.7000 4.6968 .0032 0 2 0
4.4400 4.4378 .0022 -1 -1 1
4.0700 4.0729 -.0029 -2 2 0
3.9300 3.9265 .0035 1 2 1
A= 10.772 DA= .006
B= 10.808 DB= .009
C= 8.885 DC= .006
GAMMA=110.23 DGAMMA= .02
BETA =102.271 DBETA = .004
ALPHA= 65.23 DALPHA= .05
V= 878.6
118. 21-1933
C30H22F22O4Ti
Triklin
Dexp Dcal d(D) h k l
14.6000 14.5948 .0052 1 0 0
8.8700 8.8718 -.0018 0 1 1
7.7700 7.7635 .0065 0 -1 1
6.8000 6.8052 -.0052 2 1 0
5.5900 5.5946 -.0046 1 2 1
5.2800 5.2755 .0045 -1 0 2
5.0000 5.0048 -.0048 0 1 2
4.6300 4.6296 .0004 -3 1 1
4.4200 4.4190 .0010 1 1 2
4.1600 4.1609 -.0009 -3 -2 1
3.9000 3.9011 -.0011 -2 3 1
3.5500 3.5502 -.0002 -3 -2 2
A= 15.2583 DA= .0009
B= 14.428 DB= .005
C= 10.645 DC= .003
GAMMA= 85.77 DGAMMA= .01
BETA =105.784 DBETA = .007
ALPHA= 83.42 DALPHA= .01
V= 2226.7
119. 21-1934
C20H18F2O4Ti
Triklin
Dexp Dcal d(D) h k l
9.5200 9.5081 .0119 1 0 0
7.7100 7.7160 -.0060 0 1 0
7.3200 7.3272 -.0072 0 0 1
6.5500 6.5672 -.0172 -1 -1 1
5.3300 5.3425 -.0125 1 0 1
4.8400 4.8223 .0177 -2 -1 1
4.7000 4.6958 .0042 0 1 1
4.4700 4.4755 -.0055 1 -1 1
4.1100 4.1140 -.0040 -1 1 1
3.9600 3.9594 .0006 -1 -1 2
3.7400 3.7413 -.0013 0 -1 2
3.5500 3.5500 .0000 2 2 0
A= 10.405 DA= .002
B= 8.643 DB= .002
C= 7.985 DC= .002
GAMMA= 68.448 DGAMMA= .002
BETA =107.05 DBETA = .02
ALPHA=110.94 DALPHA= .04
V= 612.9
120. 21-1935
C26H29ClOSiTi
Triklin
Dexp Dcal d(D) h k l
9.8100 9.8002 .0098 0 1 1
8.3200 8.3254 -.0054 0 -1 1
7.4000 7.3978 .0022 1 1 0
7.2600 7.2605 -.0005 1 1 1
5.8100 5.8096 .0004 -1 -1 1
5.3000 5.2989 .0011 0 -2 1
4.9000 4.9001 -.0001 0 2 2
4.6500 4.6501 -.0001 -1 0 2
4.5500 4.5501 -.0001 -1 2 0
4.0100 4.0102 -.0002 1 3 0
A= 8.3507 DA= .0007
B= 12.979 DB= .002
C= 13.343 DC= .005
GAMMA= 77.56 DGAMMA= .01
BETA = 78.04 DBETA = .01
ALPHA= 78.52 DALPHA= .01
V= 1363.3
121. 21-1936
C36H36O2Si2Ti
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
10.1000 10.1347 -.0347 1 1 0
6.9300 6.9015 .0285 2 1 0
6.1200 6.1132 .0068 1 0 1
5.5100 5.5265 -.0165 1 1 1
4.7700 4.7673 .0027 2 1 1
4.6200 4.6157 .0043 0 2 1
4.1600 4.1667 -.0067 1 3 0
4.1600 4.1628 -.0028 3 2 0
a=16.323 b=12.93 c= 6.593
da= .003 db= .01 dc= .004
V=1391
122. 21-1937
C23H23ClOSiTi
Triklin
Dexp Dcal d(D) h k l
12.1000 12.1031 -.0031 1 0 0
9.4200 9.4153 .0047 0 1 0
7.9100 7.9088 .0012 1 1 1
6.9100 6.9052 .0048 2 0 1
6.0200 6.0166 .0034 0 0 2
5.7900 5.7892 .0008 -1 1 1
5.4700 5.4693 .0007 -1 -1 1
5.2000 5.1989 .0011 1 -1 2
5.0500 5.0510 -.0010 -2 1 0
4.5800 4.5791 .0009 -1 0 2
4.0100 4.0111 -.0011 0 0 3
3.9000 3.9002 -.0002 3 -1 2
A= 13.87 DA= .01
B= 9.518 DB= .004
C= 13.882 DC= .009
GAMMA= 85.08 DGAMMA= .07
BETA = 60.82 DBETA = .07
ALPHA= 81.64 DALPHA= .09
V= 1582.2
123. 21-1938
C46H40O2Si2Ti
Triklin
Dexp Dcal d(D) h k l
13.2000 13.1931 .0069 1 0 0
9.8800 9.8795 .0005 0 1 0
7.5700 7.5760 -.0060 0 0 1
6.7100 6.7065 .0035 2 1 0
6.5100 6.5118 -.0018 2 1 1
5.9600 5.9585 .0015 -1 0 1
5.2900 5.2900 -.0000 1 2 0
5.1400 5.1414 -.0014 -1 1 1
4.8800 4.8808 -.0008 2 2 0
4.6500 4.6499 .0001 0 2 1
4.0900 4.0900 -.0000 2 1 2
3.7500 3.7498 .0002 1 2 2
A= 15.174 DA= .008
B= 11.299 DB= .002
C= 8.354 DC= .005
GAMMA= 63.89 DGAMMA= .04
BETA = 68.64 DBETA = .04
ALPHA= 69.48 DALPHA= .02
V= 1166.3
124. 22-0500
Ti{HAsO4}*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.7700 7.7649 .0051 1 1 0
4.3100 4.3088 .0012 -1 0 2
4.1100 4.1085 .0015 2 2 1
3.8700 3.8701 -.0001 2 2 2
3.4900 3.4899 .0001 -1 3 1
3.1900 3.1900 .0000 3 1 0
2.6600 2.6599 .0001 4 1 2
2.5400 2.5400 .0000 -1 3 3
2.4200 2.4201 -.0001 -3 1 2
2.2800 2.2801 -.0001 4 3 2
2.1600 2.1600 -.0000 1 3 5
2.0500 2.0500 .0000 5 2 2
a= 10.888 b= 12.52 c= 12.87 beta= 65.35
da= .003 db=.01 dc=.01 dbeta=.03
V= 1594.8
125. 22-0777
TiPOCl7
Triklin
Dexp Dcal d(D) h k l
6.1800 6.1982 -.0182 1 1 0
5.9000 5.9123 -.0123 -1 1 0
4.9800 4.9580 .0220 -1 1 2
3.9200 3.9233 -.0033 0 2 2
3.8200 3.8221 -.0021 -2 0 2
3.6700 3.6750 -.0050 -2 2 2
3.5100 3.5027 .0073 1 1 2
3.0800 3.0767 .0033 -1 3 2
2.9550 2.9546 .0004 0 1 3
2.6200 2.6207 -.0007 1 -1 2
2.5400 2.5393 .0007 -1 3 0
2.4960 2.4946 .0014 3 2 0
A= 10.16 DA= .01
B= 9.35 DB= .01
C= 9.95 DC= .01
GAMMA=100.29 DGAMMA= .04
BETA =115.06 DBETA = .01
ALPHA= 59.39 DALPHA= .09
V= 735.6
126. 22-0778
TiP2O2Cl10
Triklin
Dexp Dcal d(D) h k l
7.6800 7.6847 -.0047 1 0 0
6.5500 6.5452 .0048 0 1 0
6.0700 6.0731 -.0031 -1 0 1
5.7400 5.7386 .0014 -1 1 0
5.4700 5.4794 -.0094 -1 1 1
4.8600 4.8601 -.0001 0 -1 1
4.4300 4.4309 -.0009 1 -1 1
3.8600 3.8603 -.0003 1 0 2
3.4800 3.4786 .0014 2 0 1
3.2800 3.2726 .0074 0 2 0
3.0800 3.0802 -.0002 -1 2 2
2.9400 2.9413 -.0013 -2 2 1
A= 7.9896 DA= .0003
B= 6.963 DB= .003
C= 9.517 DC= .002
GAMMA=105.57 DGAMMA= .02
BETA = 96.71 DBETA = .01
ALPHA= 76.10 DALPHA= .02
V= 494.3
127. 22-940
Ti6H4{SO4}11
Triklin
Dexp Dcal d(D) h k l
7.7500 7.7448 .0052 0 0 1
4.7200 4.7180 .0020 0 -2 1
4.0700 4.0716 -.0016 -1 0 1
3.8800 3.8846 -.0046 1 -1 1
3.4000 3.3999 .0001 0 2 1
2.6090 2.6086 .0004 1 2 1
2.4210 2.4205 .0005 -1 -1 3
2.1180 2.1181 -.0001 1 3 1
2.0520 2.0523 -.0003 0 -1 4
9.0900 9.0308 .0592 0 1 0
1.9710 1.9704 .0006 2 -1 2
1.9030 1.9028 .0002 -2 3 0
1.8330 1.8330 .0000 1 -1 4
1.5170 1.5171 -.0001 -3 0 1
1.2000 1.2000 -.0000 3 -3 4
A= 4.5957 DA= .0004
B= 9.715 DB= .006
C= 8.322 DC= .007
GAMMA= 93.75 DGAMMA= .03
BETA = 92.593 DBETA = .004
ALPHA=111.08 DALPHA= .07
V= 345.0
128. 22-0941
Ti2H2{SO4}4
Triklin
Dexp Dcal d(D) h k l
6.4500 6.4480 .0020 -1 1 0
4.0000 4.0023 -.0023 0 -1 2
3.9300 3.9284 .0016 1 -1 2
3.5300 3.5311 -.0011 2 0 0
3.4200 3.4192 .0008 1 0 2
3.2700 3.2639 .0061 2 0 1
3.1100 3.1101 -.0001 -2 1 1
2.6160 2.6163 -.0003 2 -3 2
2.5530 2.5521 .0009 0 -2 3
2.4170 2.4170 .0000 -2 1 2
2.3500 2.3510 -.0010 -1 0 3
2.2080 2.2090 -.0010 -2 -2 1
A= 7.7641 DA= .0003
B= 8.71974 DB= .00009
C= 8.2976 DC= .0002
GAMMA=114.412 DGAMMA= .009
BETA = 78.2173 DBETA = .0003
ALPHA=113.366 DALPHA= .005
V=469.2
129. 22-0942
Ti2H2{SO4}4*5H2O
Triklin
Dexp Dcal d(D) h k l
9.2000 9.2079 -.0079 1 0 0
8.2400 8.2206 .0194 0 1 1
5.2000 5.1979 .0021 0 -1 1
4.9000 4.9039 -.0039 2 1 0
4.7400 4.7300 .0100 0 1 2
4.3400 4.3408 -.0008 2 1 1
4.2000 4.2069 -.0069 1 1 2
4.0500 4.0541 -.0041 2 2 1
3.5700 3.5676 .0024 -1 2 0
3.3600 3.3603 -.0003 2 2 2
3.3000 3.2987 .0013 2 1 2
3.1300 3.1321 -.0021 0 1 3
A= 9.918 DA= .005
B= 10.614 DB= .003
C= 9.473 DC= .004
GAMMA= 70.59 DGAMMA= .01
BETA = 91.13 DBETA = .04
ALPHA= 66.5 DALPHA= .03
V= 849.1
130. 22-0943
TiMo2S4
Triklin
Dexp Dcal d(D) h k l
5.4000 5.4023 -.0023 -1 1 1
3.0200 3.0224 -.0024 -1 -3 1
2.8400 2.8390 .0010 1 -1 3
2.6000 2.6000 .0000 2 -2 2
2.5600 2.5605 -.0005 -1 5 1
2.4800 2.4797 .0003 0 4 3
2.2900 2.2898 .0002 -2 -2 2
2.2400 2.2403 -.0003 1 -1 4
2.1800 2.1798 .0002 -1 -3 3
2.1000 2.0999 .0001 0 4 4
2.0300 2.0298 .0002 0 -6 1
1.9670 1.9671 -.0001 -3 0 2
A= 6.65763 DA= .00003
B= 13.2213 DB= .0002
C= 9.8517 DC= .0001
GAMMA=100.245 DGAMMA= .005
BETA = 89.630 DBETA = .002
ALPHA= 81.505 DALPHA= .003
V=843.3
131. 22-0946
Ti2Re2O11
Triklin
Dexp Dcal d(D) h k l
10.2000 10.1822 .0178 0 0 1
6.8000 6.7956 .0044 1 1 0
5.6800 5.6825 -.0025 0 -2 1
5.1500 5.1520 -.0020 1 -1 2
4.8400 4.8387 .0013 1 0 2
4.5500 4.5455 .0045 0 -2 2
4.1400 4.1418 -.0018 0 1 2
3.9500 3.9512 -.0012 -2 0 1
3.7500 3.7486 .0014 -1 -2 2
3.6100 3.6074 .0026 1 -3 2
3.4900 3.4925 -.0025 1 -2 3
3.4000 3.3978 .0022 2 2 0
A= 9.511 DA= .005
B= 11.8115 DB= .0002
C= 11.029 DC= .003
GAMMA= 99.05 DGAMMA= .01
BETA = 77.32 DBETA = .01
ALPHA=110.25 DALPHA= .02
V= 1129.6
132. 22-1121
SrTi21O38
Triklin
Dexp Dcal d(D) h k l
10.9200 10.9255 -.0055 -1 0 1
9.8700 9.8732 -.0032 0 1 0
8.2500 8.2488 .0012 1 0 1
7.9700 7.9699 .0001 -1 -1 1
4.3700 4.3715 -.0015 0 -2 2
4.1600 4.1609 -.0009 -1 -1 3
3.9500 3.9518 -.0018 0 0 3
3.7600 3.7594 .0006 4 0 0
3.3870 3.3871 -.0001 0 1 3
3.3350 3.3342 .0008 1 -3 1
3.2140 3.2129 .0011 -4 0 3
3.1250 3.1240 .0010 1 1 3
A= 15.6819 DA= .0005
B= 10.20653 DB= .00009
C= 12.7037 DC= .0002
GAMMA= 92.0472 DGAMMA= .0002
BETA =105.402 DBETA = .001
ALPHA=103.45350 DALPHA= .00009
V=1896.8
133. 22-1443
SrTi12O19
Triklin
Dexp Dcal d(D) h k l
4.1200 4.1181 .0019 2 0 0
4.0800 4.0811 -.0011 2 2 0
3.6600 3.6662 -.0062 0 1 2
3.5300 3.5311 -.0011 0 -2 1
3.5000 3.5035 -.0035 -2 0 1
3.4100 3.4139 -.0039 1 2 2
3.3400 3.3421 -.0021 1 3 0
3.2500 3.2473 .0027 -2 -2 1
3.2200 3.2201 -.0001 -1 2 1
3.2000 3.2015 -.0015 2 3 0
3.1800 3.1786 .0014 0 -1 2
3.1400 3.1402 -.0002 2 1 2
A= 9.34698 DA= .0003
B= 10.4191 DB= .0004
C= 7.603 DC= .001
GAMMA= 61.976 DGAMMA= .004
BETA = 80.15 DBETA = .01
ALPHA= 75.12 DALPHA= .01
V=630.2
134. 22-1482
Ti2Ti2O5
Triklin
Dexp Dcal d(D) h k l
9.2800 9.3148 -.0348 1 0 0
3.7400 3.7374 .0026 1 2 0
3.5700 3.5704 -.0004 -2 -2 1
3.3900 3.3910 -.0010 2 2 0
3.1900 3.1904 -.0004 -2 -2 2
3.0900 3.0904 -.0004 -3 0 1
3.0500 3.0526 -.0026 0 2 1
2.9500 2.9532 -.0032 1 -2 1
2.7300 2.7318 -.0018 -3 0 2
2.5700 2.5702 -.0002 -2 -3 1
2.4500 2.4499 .0001 3 2 1
2.4020 2.4014 .0006 -4 -1 2
A= 10.163 DA= .005
B= 7.80476 DB= .00008
C= 8.888 DC= .001
GAMMA= 68.498 DGAMMA= .005
BETA =104.86 DBETA = .01
ALPHA=106.29 DALPHA= .03
V=620.2
135. 22-1807
C4H14BCl9N2Ti2
Triklin
Dexp Dcal d(D) h k l
9.6600 9.6510 .0090 0 1 1
8.7100 8.7119 -.0019 0 -1 1
7.4700 7.4958 -.0258 1 0 0
6.4900 6.5017 -.0117 0 2 1
5.9700 5.9844 -.0144 1 1 1
5.6600 5.6573 .0027 0 1 2
5.1300 5.1050 .0250 1 2 0
4.7800 4.7768 .0032 1 0 2
4.1000 4.0989 .0011 1 2 2
3.6400 3.6396 .0004 2 0 1
3.3500 3.3514 -.0014 -2 -1 1
2.9800 2.9802 -.0002 1 3 3
A= 7.518 DA= .004
B= 14.658 DB= .003
C= 11.836 DC= .001
GAMMA= 92.33 DGAMMA= .04
BETA = 86.55 DBETA = .01
ALPHA= 84.17 DALPHA= .02
V= 1293.8
136. 22-1811
C2H8Cl7NTi2
Triklin
Dexp Dcal d(D) h k l
8.8000 8.8020 -.0020 1 0 0
7.7300 7.7297 .0003 0 1 1
6.9400 6.9300 .0100 0 -1 1
6.3700 6.3663 .0037 -1 1 0
5.4500 5.4500 .0000 -1 0 2
5.1500 5.1253 .0247 0 1 2
4.7700 4.7698 .0002 0 2 0
4.0600 4.0621 -.0021 1 1 2
3.8500 3.8513 -.0013 -1 0 3
3.4400 3.4419 -.0019 2 -1 1
3.1800 3.1799 .0001 0 3 0
3.0700 3.0701 -.0001 -2 -1 3
A= 9.114 DA= .001
B= 9.5984 DB= .0001
C= 11.797 DC= .001
GAMMA= 89.77 DGAMMA= .02
BETA =104.93 DBETA = .01
ALPHA= 83.945 DALPHA= .009
V= 991.1
137. 22-1949
C30H30BrN3O6Ti
Triklin
Dexp Dcal d(D) h k l
7.8500 7.8608 -.0108 0 1 1
7.6400 7.6368 .0032 1 0 0
7.5300 7.5074 .0226 0 -1 1
7.2800 7.2525 .0275 0 2 0
6.6200 6.6144 .0056 -1 1 0
6.2600 6.2714 -.0114 1 0 1
5.4000 5.4039 -.0039 1 2 0
5.1400 5.1392 .0008 -1 -1 1
4.8300 4.8350 -.0050 0 3 0
4.3600 4.3582 .0018 0 3 1
3.9900 3.9906 -.0006 -1 3 0
3.5800 3.5806 -.0006 -1 1 2
2.9650 2.9648 .0002 2 2 2
2.0600 2.0600 -.0000 3 -3 2
A= 7.722 DA= .004
B= 14.55 DB= .02
C= 9.15 DC= .01
GAMMA= 86.53 DGAMMA= .06
BETA = 82.02 DBETA = .01
ALPHA= 86.62 DALPHA= .09
V= 1015.0
138. 22-1973
C4H16Cl4N8O4Ti
Monoklin
GRUPA 3. 6, 10
Dexp. Dcal. d(D) h k l
4.4400 4.4415 -.0015 1 1 1
4.0200 4.0262 -.0062 0 1 2
3.6200 3.6245 -.0045 0 3 0
3.3200 3.3170 .0030 1 0 2
2.9960 2.9941 .0019 2 0 1
2.7940 2.7926 .0014 0 1 3
2.6200 2.6227 -.0027 2 2 1
2.4530 2.4533 -.0003 1 0 3
2.3080 2.3083 -.0003 2 3 1
2.1990 2.1997 -.0007 -1 1 4
2.0560 2.0575 -.0015 -1 5 1
1.9090 1.9092 -.0002 -1 3 4
1.8570 1.8571 -.0001 -3 0 4
1.7380 1.7376 .0004 0 5 3
1.6680 1.6685 -.0005 -2 4 4
a= 7.300 b= 10.873 c= 8.993 beta= 105.43
da= .003 db= .005 dc=.001 dbet=.04
V=687.7
Triklin
Dexp Dcal d(D) h k l
4.4400 4.4384 .0016 -1 1 1
4.0200 4.0203 -.0003 1 -1 1
3.6200 3.6190 .0010 -2 1 1
3.3200 3.3203 -.0003 2 -1 1
2.9960 2.9976 -.0016 -2 2 0
2.7940 2.7946 -.0006 -3 1 1
2.6200 2.6202 -.0002 3 -1 1
2.4530 2.4538 -.0008 1 2 1
2.3080 2.3076 .0004 -4 1 0
2.1990 2.1986 .0004 2 2 0
2.0560 2.0560 -.0000 0 -2 2
1.9090 1.9091 -.0001 1 0 3
1.8570 1.8571 -.0001 -2 1 3
1.7380 1.7385 -.0005 0 3 2
1.6680 1.6683 -.0003 -3 0 3
A= 9.260 DA= .003
B= 6.4832 DB= .0004
C= 5.953 DC= .001
GAMMA=108.91 DGAMMA= .01
BETA = 93.94 DBETA = .03
ALPHA= 84.8744 DALPHA= .0007
V= 336.4
139. 22-1974
CH4Cl4N2OTi
Triklin
Dexp Dcal d(D) h k l
5.9000 5.8989 .0011 -1 1 0
4.2700 4.2670 .0030 -1 1 1
3.7800 3.7785 .0015 -1 -1 1
3.4000 3.3992 .0008 -2 0 1
2.9960 2.9928 .0032 -1 0 2
2.8830 2.8831 -.0001 0 0 2
2.5330 2.5304 .0026 0 2 1
2.4930 2.4959 -.0029 -3 1 1
2.2630 2.2623 .0007 3 0 0
2.1990 2.1998 -.0008 -2 3 0
2.1200 2.1216 -.0016 2 1 1
2.0470 2.0462 .0008 3 -2 1
A= 7.6217 DA= .0002
B= 6.8062 DB= .0002
C= 6.06705 DC= .00004
GAMMA=111.1684 DGAMMA= .0002
BETA =103.9589 DBETA = .0009
ALPHA= 95.52 DALPHA= .01
V=279.0
140. 22-1975
C2H8Cl4N2O2Ti
Triklin
Dexp Dcal d(D) h k l
6.0600 6.0633 -.0033 1 1 1
4.7200 4.7204 -.0004 -1 -1 1
4.2300 4.2299 .0001 2 1 0
3.6800 3.6804 -.0004 -1 1 1
3.3000 3.3009 -.0009 2 0 2
2.8820 2.8825 -.0005 3 2 1
2.7120 2.7122 -.0002 0 2 2
2.4400 2.4405 -.0005 -2 -1 2
2.1990 2.1992 -.0002 1 -3 2
2.1020 2.1020 -.0000 -1 -2 3
1.8720 1.8717 .0003 2 5 0
1.8230 1.8230 -.0000 3 2 4
A= 8.971 DA= .002
B= 9.384 DB= .002
C= 7.9481 DC= .0007
GAMMA= 66.87 DGAMMA= .02
BETA = 70.873 DBETA = .008
ALPHA= 86.80 DALPHA= .01
V= 579.3
141. 22-1976
C3H12Cl4N6O3Ti
Triklin
Dexp Dcal d(D) h k l
5.7100 5.7147 -.0047 0 1 1
4.9000 4.8997 .0003 0 -1 1
4.6200 4.6185 .0015 1 1 1
4.0000 4.0004 -.0004 -1 -1 1
3.5900 3.5888 .0012 1 1 2
3.3000 3.3002 -.0002 2 1 0
2.9570 2.9553 .0017 1 2 0
2.6820 2.6795 .0025 1 2 2
2.4400 2.4411 -.0011 3 -1 1
2.1990 2.1984 .0006 0 1 4
2.1020 2.1019 .0001 -3 2 1
2.0560 2.0558 .0002 3 0 3
A= 8.017 DA= .008
B= 6.6515 DB= .0004
C= 8.956 DC= .002
GAMMA= 93.56 DGAMMA= .03
BETA = 86.01 DBETA = .02
ALPHA= 81.123 DALPHA= .007
V= 469.4
142. 22-1977
C20H18Br2O4Ti
Triklin
Dexp Dcal d(D) h k l
9.3600 9.3490 .0110 1 0 0
7.4500 7.4604 -.0104 1 1 0
6.7800 6.7778 .0022 -1 0 1
6.3600 6.3412 .0188 1 0 1
5.5100 5.5050 .0050 -1 1 0
5.1700 5.2029 -.0329 1 -1 1
4.7600 4.7637 -.0037 -2 -1 1
4.5900 4.5878 .0022 0 0 2
4.3600 4.3612 -.0012 1 2 0
4.0300 4.0267 .0033 -2 -2 1
3.8700 3.8601 .0099 -2 -1 2
3.6100 3.6015 .0085 1 -2 1
A= 9.986 DA= .008
B= 9.669 DB= .004
C= 10.063 DC= .002
GAMMA= 69.78 DGAMMA= .02
BETA =101.39 DBETA = .07
ALPHA=113.97 DALPHA= .05
V= 831.3
143. 22-1978
C30H31I2N3O6Ti
Triklin
Dexp Dcal d(D) h k l
6.8600 6.8808 -.0208 0 1 1
6.6000 6.6178 -.0178 0 -1 1
6.4500 6.4491 .0009 1 0 0
6.0800 6.0720 .0080 -1 1 0
5.8800 5.8742 .0058 0 2 0
5.5200 5.5039 .0161 -1 1 1
5.3000 5.3108 -.0108 1 1 0
4.8800 4.8794 .0006 0 2 1
4.4400 4.4412 -.0012 1 -1 1
4.1800 4.1768 .0032 1 1 1
3.8400 3.8380 .0020 0 -1 2
3.2800 3.2793 .0007 -2 1 1
2.7400 2.7402 -.0002 -1 1 3
2.0000 2.0001 -.0001 -3 3 2
A= 6.698 DA= .004
B= 11.93 DB= .01
C= 8.456 DC= .004
GAMMA= 99.833 DGAMMA= .006
BETA =102.82 DBETA = .05
ALPHA= 85.55 DALPHA= .03
V= 648.8