41. 14-0372
Rb2TiCl4{OH}4}2
Triklin
Dexp Dcal d(D) h k l
3.9700 3.9647 .0053 0 1 1
3.8100 3.8096 .0004 -1 0 1
3.0200 3.0206 -.0006 0 -1 1
2.8500 2.8498 .0002 1 0 1
2.7000 2.6986 .0014 -1 -1 1
2.5100 2.5085 .0015 1 -1 1
2.1600 2.1602 -.0002 -1 0 2
2.0300 2.0325 -.0025 -2 -1 1
1.9900 1.9904 -.0004 -2 3 1
1.8900 1.8900 .0000 -3 1 1
1.8200 1.8205 -.0005 -2 3 2
1.6600 1.6599 .0001 2 -2 1
A= 5.688 DA= .001
B= 6.528 DB= .001
C= 4.7040 DC= .0001
GAMMA=110.691 DGAMMA= .007
BETA =112.53 DBETA = .01
ALPHA= 67.787 DALPHA= .002
V= 144.9
42. 14-0382
Cs2TiCl6
Triklin
Dexp Dcal d(D) h k l
3.7400 3.7407 -.0007 0 1 1
3.5100 3.5073 .0027 -1 1 1
2.9000 2.8998 .0002 0 -1 1
2.6700 2.6687 .0013 1 -1 1
2.5100 2.5093 .0007 -1 2 1
2.4300 2.4311 -.0011 1 1 1
2.2400 2.2435 -.0035 -2 1 1
2.0500 2.0495 .0005 -2 2 1
1.9400 1.9412 -.0012 1 -2 1
1.7600 1.7597 .0003 1 2 1
1.5900 1.5898 .0002 0 3 1
1.5500 1.5502 -.0002 -3 1 0
A= 4.7333 DA= .0008
B= 5.2504 DB= .0003
C= 4.7462 DC= .0008
GAMMA=114.16 DGAMMA= .01
BETA = 99.78 DBETA = .01
ALPHA= 72.927 DALPHA= .004
V= 102.7
43. 14-0462
Rb2TiCl6
Triklin
Dexp Dcal d(D) h k l
5.6200 5.6219 -.0019 1 0 0
3.9700 3.9699 .0001 -1 1 1
3.7800 3.7798 .0002 -1 -1 1
2.8500 2.8512 -.0012 1 -1 1
2.4700 2.4700 .0000 -2 -3 1
2.2000 2.1992 .0008 0 -8 1
2.1500 2.1500 .0000 -1 1 2
2.0200 2.0201 -.0001 2 7 0
1.9000 1.9002 -.0002 -2 5 2
1.7400 1.7398 .0002 1 1 2
1.6700 1.6700 .0000 -1 13 0
1.5700 1.5695 .0005 -3 7 2
A= 5.96904 DA= .00004
B= 22.39411 DB= .00001
C= 4.3043 DC= .0003
GAMMA= 96.73 DGAMMA= .01
BETA =109.08 DBETA = .01
ALPHA= 83.119 DALPHA= .003
V= 538.0
44. 14-0463
Cs2Ti2Cl4{OH}2
Triklin
Dexp Dcal d(D) h k l
3.8700 3.8691 .0009 -1 0 1
3.2700 3.2706 -.0006 0 2 1
3.0700 3.0707 -.0007 0 -2 1
1.8400 1.8406 -.0006 0 -4 1
3.0000 3.0065 -.0065 1 -2 1
2.8000 2.7989 .0011 -2 0 1
2.7300 2.7282 .0018 -1 -2 1
2.5600 2.5640 -.0040 3 0 1
2.3900 2.3915 -.0015 2 0 2
2.2500 2.2512 -.0012 1 2 2
2.1400 2.1399 .0001 3 -2 1
2.1000 2.0985 .0015 2 -3 1
A= 8.0126 DA= .0003
B= 8.1185 DB= .0005
C= 5.224 DC= .001
GAMMA= 89.433 DGAMMA= .007
BETA = 76.79 DBETA = .01
ALPHA= 86.269 DALPHA= .003
V=330.0
45. 14-0493
{NH4]3Ti2O2C17*4H2O
Triklin
Dexp Dcal d(D) h k l
5.2700 5.2674 .0026 -1 0 1
3.9300 3.9312 -.0012 0 -2 1
3.6000 3.5957 .0043 0 0 2
3.4900 3.4907 -.0007 -1 -1 2
3.3600 3.3603 -.0003 1 0 2
3.3300 3.3277 .0023 -2 -1 1
3.2300 3.2295 .0005 -1 0 2
2.9300 2.9350 -.0050 -2 1 1
2.8200 2.8189 .0011 2 -2 2
2.5700 2.5703 -.0003 0 -3 2
2.4300 2.4295 .0005 -3 -1 1
A= 8.27320 DA= .00002
B= 7.9232 DB= .0002
C= 8.1811 DC= .0003
GAMMA= 97.041 DGAMMA= .001
BETA = 83.965 DBETA = .002
ALPHA=118.329 DALPHA= .001
V=467.9
46. 14-0502
TiOSO4
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
5.9100 5.9055 .0045 2 0 0
4.9300 4.9146 .0154 0 1 0
4.1600 4.1519 .0081 2 0 1
3.7800 3.7776 .0024 2 1 0
3.5900 3.5827 .0073 1 1 1
3.1800 3.1716 .0084 2 1 1
2.9200 2.9193 .0007 0 0 2
2.7200 2.7191 .0009 3 1 1
2.6400 2.6349 .0051 4 0 1
2.5300 2.5311 -.0011 4 1 0
2.5080 2.5099 -.0019 0 1 2
2.4590 2.4573 .0017 0 2 0
a=11.81 b= 4.915 c= 5.839
da= .01 db= .001 dc= .001
V= 338.9
47. 14-0503
TiOSO4*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.3500 8.3386 .0114 1 1 0
8.2000 8.1886 .0114 1 0 1
4.7900 4.7898 .0002 2 1 1
4.6900 4.6906 -.0006 1 1 2
4.1600 4.1561 .0039 3 1 0
3.5000 3.4984 .0016 -3 1 3
3.2800 3.2810 -.0010 -4 1 2
3.1400 3.1392 .0008 -2 3 1
3.1100 3.1108 -.0008 -1 3 2
3.0600 3.0608 -.0008 4 0 1
2.4130 2.4130 .0000 5 2 0
2.3910 2.3912 -.0002 -2 2 5
2.3380 2.3379 .0001 1 1 5
a= 14.202 b= 10.575 c= 13.454 beta= 107.293
da= .006 db=.005 dc=.001 dbeta=.03
V= 1929.1
48. 14-0536
TiP2O3Cl8
Triklin
Dexp Dcal d(D) h k l
6.7000 6.6971 .0029 -1 1 1
5.9000 5.8987 .0013 -1 -1 1
5.4000 5.4050 -.0050 2 0 0
5.0900 5.0932 -.0032 -1 0 2
4.1900 4.1892 .0008 2 0 1
3.8000 3.8001 -.0001 -3 0 1
3.5300 3.5340 -.0040 -3 1 1
3.3000 3.3002 -.0002 -3 1 0
3.0400 3.0400 .0000 0 -2 2
2.9000 2.9002 -.0002 1 3 0
2.6800 2.6802 -.0002 -3 -1 3
2.5200 2.5186 .0014 -1 -2 3
A= 11.4178 DA= .0008
B= 9.0786 DB= .0005
C= 10.4339 DC= .0009
GAMMA= 91.16 DGAMMA= .01
BETA =108.661 DBETA = .006
ALPHA= 80.172 DALPHA= .002
V= 1009.0
49. 14-0797
C4K2O9Ti*2H2O
Triklin
Dexp Dcal d(D) h k l
10.2000 10.1931 .0069 1 0 0
9.9900 9.9982 -.0082 0 1 0
9.3500 9.3590 -.0090 0 1 1
9.2100 9.2140 -.0040 1 0 1
7.4500 7.4478 .0022 1 1 0
6.6300 6.6415 -.0115 0 1 2
5.3600 5.3575 .0025 -1 0 2
5.0000 4.9991 .0009 0 2 0
4.8600 4.8568 .0032 1 -1 2
4.4600 4.4606 -.0006 -1 -1 2
3.6400 3.6409 -.0009 -2 1 2
3.6000 3.5970 .0030 1 0 4
A= 10.5073 DA= .0001
B= 10.4271 DB= .0001
C= 15.1267 DC= .0001
GAMMA= 82.018 DGAMMA= .003
BETA = 76.743 DBETA = .001
ALPHA= 74.174 DALPHA= .002
V=1546.8
50. 14-0851
C16H32Cl2O17Ti*6H2O
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
9.1800 9.1564 .0236 0 1 0
8.2700 8.2895 -.0195 1 1 0
6.4500 6.5061 -.0561 3 0 0
4.5900 4.5782 .0118 0 2 0
4.3100 4.3063 .0037 4 1 0
4.1300 4.1448 -.0148 2 2 0
3.9000 3.9037 -.0037 5 0 0
3.2200 3.2250 -.0050 4 1 1
3.0700 3.0654 .0046 6 1 0
2.8900 2.8895 .0005 5 1 1
2.5000 2.4995 .0005 2 3 1
2.3800 2.3814 -.0014 7 2 0
2.1400 2.1391 .0009 7 2 1
a=19.5184 b= 9.1564 c= 4.87
da= .0003 db= .0007 dc= .01
V= 869.8
51. 14-0957
C10H10Cl2N2OTi
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.9600 6.9569 .0031 1 1 0
5.9000 5.8862 .0138 0 2 0
5.5000 5.4965 .0035 1 1 1
4.8700 4.8617 .0083 1 2 0
4.6200 4.6192 .0008 0 1 2
4.2700 4.2738 -.0038 1 2 1
3.9100 3.9114 -.0014 1 1 2
3.6300 3.6282 .0018 2 1 1
3.3480 3.3479 .0001 0 0 3
2.9010 2.9022 -.0012 2 3 0
a= 8.676 b= 11.77 c= 10.104 beta= 96.27
da= .005 db=.02 dc= .001 dbeta=.09
V= 1025.8
52. 15-0324
La4Ti9O24
Triklin
Dexp Dcal d(D) h k l
5.8300 5.8217 .0083 -1 0 1
5.0700 5.0724 -.0024 1 -2 1
4.4400 4.4405 -.0005 1 2 1
3.3600 3.3589 .0011 0 2 2
3.2800 3.2797 .0003 -2 2 0
3.1870 3.1863 .0007 0 -3 3
3.0480 3.0472 .0008 -1 -2 3
2.9980 2.9978 .0002 3 0 1
2.9690 2.9673 .0017 0 4 0
2.8490 2.8430 .0060 -1 -3 3
2.8140 2.8189 -.0049 1 -1 4
2.7720 2.7698 .0022 3 1 2
A= 9.001 DA= .002
B= 12.642 DB= .003
C= 11.3422 DC= .0007
GAMMA= 87.72 DGAMMA= .04
BETA = 74.82 DBETA = .02
ALPHA=108.65 DALPHA= .03
V=1169.0
53. 15-0334
La2Ti2O7
Triklin
Dexp Dcal d(D) h k l
4.1900 4.1873 .0027 2 1 1
3.8300 3.8345 -.0045 -1 -2 1
3.3900 3.3922 -.0022 -2 -1 1
3.2100 3.2102 -.0002 -1 -1 2
3.1640 3.1655 -.0015 -2 -2 1
3.1100 3.1041 .0059 0 -2 2
2.9880 2.9866 .0014 3 1 1
2.7750 2.7754 -.0004 3 0 1
2.7140 2.7144 -.0004 2 3 0
2.6750 2.6780 -.0030 3 1 2
2.2490 2.2485 .0005 -2 -3 2
2.1810 2.1821 -.0011 0 3 1
A= 9.008 DA= .005
B= 8.4315 DB= .0003
C= 8.0183 DC= .0004
GAMMA= 67.57 DGAMMA= .02
BETA = 74.08 DBETA = .01
ALPHA= 98.44 DALPHA= .03
V=519.2
Triklin
Dexp Dcal d(D) h k l
4.1900 4.1899 .0001 1 2 1
3.8300 3.8273 .0027 0 2 2
3.3900 3.3899 .0001 0 -2 2
3.2100 3.2114 -.0014 2 0 2
3.1640 3.1651 -.0011 2 1 3
3.1100 3.1102 -.0002 2 2 1
2.9880 2.9871 .0009 2 2 0
2.7750 2.7745 .0005 -2 1 0
2.7140 2.7133 .0007 0 3 2
2.6750 2.6754 -.0004 -1 -3 1
2.2490 2.2488 .0002 3 1 0
2.1810 2.1808 .0002 -2 0 4
A= 6.9815 DA= .0003
B= 8.845 DB= .001
C= 14.8357 DC= .0002
GAMMA= 71.739 DGAMMA= .006
BETA = 75.125 DBETA = .009
ALPHA= 78.026 DALPHA= .009
V=832.7
54. 15-0536
Li2Al2Ti4O12
Triklin
Dexp Dcal d(D) h k l
4.7200 4.7200 -.0000 0 -1 2
3.7500 3.7442 .0058 1 -1 3
3.4600 3.4674 -.0074 2 -1 2
3.0700 3.0712 -.0012 2 1 2
3.0100 3.0076 .0024 1 -1 4
2.8600 2.8615 -.0015 0 0 4
2.7900 2.7918 -.0018 2 0 4
2.7200 2.7212 -.0012 3 0 2
2.4000 2.4007 -.0007 2 2 0
2.3790 2.3780 .0010 -1 -2 3
2.0570 2.0564 .0006 4 0 2
1.9520 1.9519 .0001 0 -1 6
A= 8.240 DA= .001
B= 6.186 DB= .001
C= 12.499 DC= .002
GAMMA= 93.418 DGAMMA= .003
BETA = 70.19 DBETA = .01
ALPHA=103.63 DALPHA= .01
V=582.6
55. 15-0919
C10H12F6N2Ti
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
8.2500 8.2406 .0094 1 0 0
7.2000 7.2281 -.0281 1 1 0
5.0100 4.9939 .0161 0 0 2
4.4900 4.4832 .0068 0 3 1
4.1500 4.1611 -.0111 0 2 2
3.4200 3.4228 -.0028 1 4 0
3.2500 3.2507 -.0007 0 1 3
2.5900 2.5896 .0004 2 0 3
2.4000 2.3998 .0002 1 6 0
a= 8.24 b=15.051 c= 9.988
da= .01 db= .002 dc= .001
v=1239
56. 15-0922
C8H24F6N2Ti
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
6.8100 6.8205 -.0105 1 1 0
5.5800 5.5775 .0025 2 1 0
4.6300 4.5909 .0391 0 0 1
4.4100 4.4282 -.0182 1 0 1
3.8000 3.8085 -.0085 1 1 1
3.4200 3.4102 .0098 2 2 0
2.8600 2.8608 -.0008 4 1 1
2.4600 2.4613 -.0013 1 3 0
a=16.78 b= 7.46 c= 4.59
da= .01 db= .01 dc= .01
V= 575
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
6.8100 6.8108 -.0008 1 1 0
5.5800 5.5894 -.0094 1 1 1
4.6300 4.6325 -.0025 -1 0 2
4.4100 4.4151 -.0051 1 0 2
3.8000 3.8142 -.0142 2 1 1
3.4200 3.4215 -.0015 -1 2 2
2.8600 2.8595 .0005 0 2 3
2.4600 2.4600 .0000 -1 1 4
a= 9.20 b= 10.150 c= 10.400 beta= 93.21
da=.01 db=.001 dc=.001 dbet=.01
V=965.4
57. 15-0927
C4H12F6N2Ti
Rombik
Groupa 34, 58
Dexp. Dcal. d(D) h k l
7.8500 7.7981 .0519 2 0 0
5.2200 5.2246 -.0046 2 1 0
4.9100 4.9156 -.0056 1 0 1
4.2000 4.1816 .0184 3 1 0
3.8900 3.8991 -.0091 4 0 0
2.8600 2.8613 -.0013 1 2 1
2.5900 2.5898 .0002 0 0 2
a=15.60 b= 7.038 c= 5.1795
da= .06 db= .007 dc= .0001
V= 569
58. 16-1171
С26H64N2O8Ti2
Triklin
Dexp Dcal d(D) h k l
8.6600 8.6586 .0014 -1 1 0
7.2000 7.1969 .0031 0 1 1
7.0900 7.0922 -.0022 -1 0 1
5.6400 5.6333 .0067 -2 1 0
4.3400 4.3390 .0010 -1 1 2
3.9000 3.8992 .0008 -3 1 0
3.8900 3.8912 -.0012 -1 -1 2
3.5400 3.5385 .0015 3 -2 1
3.5000 3.4995 .0005 -3 2 0
3.1800 3.1784 .0016 3 1 1
3.0400 3.0410 -.0010 2 1 3
3.0100 3.0104 -.0004 0 -3 1
A= 12.044 DA= .002
B= 9.9430 DB= .0004
C= 11.259 DC= .001
GAMMA=108.55 DGAMMA= .02
BETA = 77.10 DBETA = .01
ALPHA= 93.39 DALPHA= .01
V= 1245.99
59. 16-1172
C14H36N2O4Ti
Monoklin
GRUPA 4, 11
Dexp. Dcal. d(D) h k l
8.6600 8.6289 .0311 -1 0 1
7.0900 7.1057 -.0157 2 0 0
5.4400 5.4406 -.0006 2 1 0
4.4300 4.4247 .0053 1 0 2
3.8800 3.8800 .0000 0 2 1
3.4900 3.4887 .0013 -2 2 1
3.1600 3.1548 .0052 3 2 0
2.9900 2.9900 .0000 4 1 1
2.8100 2.8100 .0000 2 0 3
2.6800 2.6800 .0000 -1 3 1
2.0460 2.0460 .0000 -7 0 1
1.9400 1.9400 .0000 0 4 2
a= 14.35489 b= 8.45824 c= 9.8509 beta= 98.102
da= .00005 db=.00008 dc= .0004 dbet=.003
V=1184.7
60. 17-0343
TiCl3*6H2O
Triklin
Dexp Dcal d(D) h k l
6.2000 6.2164 -.0164 1 0 1
5.7900 5.7905 -.0005 1 1 0
4.2800 4.2792 .0008 -1 -1 2
4.0200 4.0215 -.0015 1 0 3
3.6900 3.6914 -.0014 -1 1 2
3.2000 3.1968 .0032 0 2 0
2.8100 2.8116 -.0016 -2 0 3
2.7900 2.7858 .0042 -2 -1 3
2.6000 2.6006 -.0006 -1 -2 3
2.5700 2.5702 -.0002 -1 2 0
2.4700 2.4706 -.0006 -2 -1 4
2.4500 2.4494 .0006 0 1 6
A= 7.311 DA= .003
B= 6.929 DB= .004
C= 15.118 DC= .003
GAMMA= 69.17 DGAMMA= .04
BETA = 86.41 DBETA = .04
ALPHA= 80.19 DALPHA= .03
V= 705.3
61. 17-0344
Cs{Ti{H2O}Cl5}
Triklin
Dexp Dcal d(D) h k l
3.5400 3.5400 -.0000 -1 1 1
2.9000 2.8989 .0011 -1 -1 1
2.5700 2.5695 .0005 -1 2 0
2.4100 2.4109 -.0009 -1 -1 2
2.1700 2.1698 .0002 -2 0 2
2.0700 2.0710 -.0010 0 -2 2
1.9700 1.9711 -.0011 -1 0 3
1.8100 1.8094 .0006 2 -1 2
1.6800 1.6803 -.0003 -3 1 2
1.6100 1.6111 -.0011 -3 0 2
1.5300 1.5294 .0006 0 -3 2
1.4900 1.4888 .0012 -1 0 4
A= 5.4733 DA= .0001
B= 5.20320 DB= .00003
C= 6.021 DC= .003
GAMMA=112.836 DGAMMA= .002
BETA =101.316 DBETA = .004
ALPHA= 98.454 DALPHA= .008
V=150.2
62. 17-0345
K2{Ti{H2O}Cl5}
Triklin
Dexp Dcal d(D) h k l
3.3800 3.3785 .0015 -1 3 0
3.1000 3.1005 -.0005 1 3 0
2.9100 2.9079 .0021 0 1 1
2.7800 2.7800 -.0000 -3 2 0
2.5800 2.5819 -.0019 -1 4 0
2.4200 2.4209 -.0009 -2 2 1
2.3900 2.3911 -.0011 -1 -2 1
2.2800 2.2761 .0039 4 0 0
2.1900 2.1907 -.0007 -4 2 0
2.1100 2.1098 .0002 -3 4 0
2.0700 2.0701 -.0001 -3 -1 1
A= 9.200 DA= .001
B= 10.492 DB= .003
C= 2.977 DC= .001
GAMMA= 97.69 DGAMMA= .02
BETA = 93.65 DBETA = .01
ALPHA= 85.13 DALPHA= .01
V=283.3
63. 17-0346
Rb2{Ti{H2O]Cl5}
Triklin
Dexp Dcal d(D) h k l
3.4100 3.4080 .0020 1 1 1
3.0300 3.0286 .0014 -1 -1 1
2.8100 2.8092 .0008 0 -1 2
2.4600 2.4595 .0005 -2 1 1
2.1500 2.1490 .0010 0 -1 3
2.1100 2.1107 -.0007 2 0 2
2.0300 2.0295 .0005 -1 -2 1
1.9900 1.9928 -.0028 -1 -1 3
1.9300 1.9293 .0007 0 2 4
1.8500 1.8496 .0004 -2 2 3
1.7400 1.7400 .0000 2 2 0
1.7200 1.7209 -.0009 -1 3 3
A= 5.2115 DA= .0001
B= 5.53073 DB= .00007
C= 8.665 DC= .002
GAMMA= 97.792 DGAMMA= .006
BETA = 96.42 DBETA = .01
ALPHA= 70.955 DALPHA= .001
V=233.4
64. 17-0346
Rb2{Ti{H2O}Cl5}
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.4100 3.4087 .0013 2 1 0
3.0300 3.0283 .0017 0 0 2
2.8100 2.8104 -.0004 1 1 2
2.4600 2.4590 .0010 2 2 0
2.1500 2.1505 -.0005 -2 0 2
2.1100 2.1101 -.0001 1 0 3
2.0300 2.0299 .0001 -2 1 2
1.9900 1.9904 -.0004 4 0 2
1.9300 1.9308 -.0008 1 3 1
1.8500 1.8505 -.0005 -1 3 1
1.7400 1.7399 .0001 1 2 3
1.7200 1.7197 .0003 1 3 2
a= 8.5718 b= 6.1499 c= 6.3385 beta= 72.84
da= .0008 db= .0001 dc= .0005 dbeta=.02
V= 319.3
65. 17-0452
Nd2Ti2O7
Triklin
Dexp Dcal d(D) h k l
6.4000 6.4256 -.0256 -1 0 1
4.1600 4.1690 -.0090 0 1 2
3.7900 3.7861 .0039 1 0 3
3.3700 3.3693 .0007 -1 -1 3
3.2100 3.2128 -.0028 -2 0 2
3.1200 3.1207 -.0007 -1 1 3
3.0700 3.0685 .0015 2 0 2
2.9500 2.9504 -.0004 -2 1 0
2.7700 2.7686 .0014 0 2 0
2.7300 2.7309 -.0009 2 0 3
2.6800 2.6771 .0029 -1 1 4
2.6500 2.6519 -.0019 -1 0 5
A= 7.0354 DA= .0006
B= 5.5588 DB= .0002
C= 14.066 DC= .003
GAMMA= 89.07 DGAMMA= .04
BETA = 93.36 DBETA = .02
ALPHA= 95.0283 DALPHA= .0008
V=547.2
66. 17-0504
Ba-Ti-Si-O
Triklin
Dexp Dcal d(D) h k l
4.4600 4.4614 -.0014 -2 1 0
3.9800 3.9757 .0043 -2 0 1
3.5700 3.5678 .0022 0 -2 1
3.2800 3.2828 -.0028 -2 -1 1
2.8900 2.8905 -.0005 -3 2 0
2.7900 2.7892 .0008 3 0 0
2.5900 2.5900 -.0000 2 1 1
2.3900 2.3901 -.0001 1 -1 2
2.3000 2.3000 .0000 0 4 0
1.9320 1.9319 .0001 -4 4 0
1.9060 1.9060 .0000 -2 0 3
1.8470 1.8484 -.0014 -3 1 3
A= 9.480 DA= .002
B= 9.909 DB= .001
C= 5.7955 DC= .0004
GAMMA=111.76 DGAMMA= .01
BETA =108.916 DBETA = .004
ALPHA= 84.376 DALPHA= .001
V=481.0
67. 17-0661
Ba2Ti5O12
Triklin
Dexp Dcal d(D) h k l
4.8600 4.8695 -.0095 0 1 1
4.6500 4.6506 -.0006 -1 1 0
3.7000 3.6988 .0012 0 -1 1
3.3700 3.3758 -.0058 0 0 2
3.3100 3.3096 .0004 -2 1 0
3.0100 3.0134 -.0034 -1 0 2
2.8950 2.8923 .0027 2 1 1
2.8480 2.8446 .0034 2 -1 1
2.7340 2.7338 .0002 0 2 1
2.4620 2.4635 -.0015 2 1 2
2.2710 2.2687 .0023 1 2 2
2.1830 2.1821 .0009 3 1 1
A= 7.686 DA= .002
B= 5.5487 DB= .0009
C= 7.028 DC= .007
GAMMA= 97.03 DGAMMA= .05
BETA = 88.30 DBETA = .07
ALPHA= 74.317 DALPHA= .004
V= 285.8
68. 17-0662
Ba2Ti9O20
Triklin
Dexp Dcal d(D) h k l
3.7200 3.7206 -.0006 -2 0 1
3.5300 3.5289 .0011 0 -2 1
3.3900 3.3926 -.0026 0 2 1
3.2900 3.2922 -.0022 2 2 0
3.1300 3.1292 .0008 3 1 0
3.0600 3.0581 .0019 1 0 2
2.9750 2.9769 -.0019 -3 1 0
2.9100 2.9140 -.0040 -1 0 2
2.7900 2.7889 .0011 3 -1 1
2.7340 2.7306 .0034 -3 -1 1
2.6660 2.6654 .0006 -2 2 1
2.4510 2.4493 .0017 0 2 2
A= 9.8979 DA= .0003
B= 8.326 DB= .001
C= 6.288 DC= .001
GAMMA= 86.01 DGAMMA= .01
BETA = 85.38 DBETA = .03
ALPHA= 92.12 DALPHA= .05
V=514.7
69. 18-0068
alfa-Al2TiO5
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
4.1600 4.1598 .0002 0 1 2
3.7600 3.7619 -.0019 -1 0 2
3.1300 3.1283 .0017 2 0 1
2.8360 2.8371 -.0011 0 3 0
2.7180 2.7193 -.0013 0 3 1
2.6010 2.6011 -.0001 1 3 0
2.2030 2.2047 -.0017 -1 0 4
1.8710 1.8721 -.0011 1 4 2
1.8200 1.8195 .0005 3 2 2
1.7180 1.7181 -.0001 1 4 3
1.8340 1.8344 -.0004 3 0 3
1.5630 1.5626 .0004 1 5 2
1.5420 1.5421 -.0001 -3 1 4
1.4660 1.4659 .0001 1 2 6
a= 6.521 b= 8.511 c= 9.547 beta= 87.23
da= .009 db=.004 dc=.007 dbet= .06
V=528.8
70. 18-0082
{NH4}2{Ti{H2O}Cl5}
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.5300 5.5332 -.0032 1 1 1
4.8700 4.8705 -.0005 2 0 0
3.9700 3.9708 -.0008 -1 0 2
3.4600 3.4582 .0018 1 3 0
2.8000 2.7987 .0013 -2 3 1
2.6500 2.6502 -.0002 3 2 1
2.5500 2.5502 -.0002 -3 1 2
2.4400 2.4403 -.0003 3 3 0
2.3800 2.3786 .0014 4 1 0
2.2800 2.2803 -.0003 4 1 1
2.2000 2.2005 -.0005 1 3 3
2.1400 2.1399 .0001 -4 0 2
a= 9.743 b= 11.097 c= 8.6144 beta= 91.25
da= .004 db=.002 dc=.0007 dbeta=.04
V= 931.2
Triklin
Dexp Dcal d(D) h k l
5.5300 5.5242 .0058 1 0 0
4.8700 4.8752 -.0052 0 1 1
3.9700 3.9697 .0003 0 -1 1
3.4600 3.4649 -.0049 1 1 2
2.8000 2.7975 .0025 2 1 1
2.6500 2.6496 .0004 0 1 3
2.5500 2.5487 .0013 -2 0 1
2.4400 2.4376 .0024 0 2 2
2.3800 2.3793 .0007 2 0 2
2.2800 2.2822 -.0022 2 2 1
2.2000 2.2001 -.0001 0 -1 3
2.1400 2.1401 -.0001 -1 2 1
A= 5.80578 DA= .00000
B= 5.54430 DB= .00001
C= 8.41878 DC= .00000
GAMMA= 72.75289 DGAMMA= .00004
BETA = 81.07173 DBETA = .00006
ALPHA= 75.11127 DALPHA= .00009
V=249.1
71. 18-0237
Be10Ti
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
6.3700 6.3686 .0014 1 0 1
4.8000 4.8017 -.0017 1 1 0
3.6800 3.6811 -.0011 2 0 1
3.6500 3.6458 .0042 0 2 0
3.1900 3.1903 -.0003 2 0 0
2.9200 2.9182 .0018 2 1 2
2.5900 2.5903 -.0003 2 2 1
2.2870 2.2872 -.0002 3 1 2
2.2730 2.2713 .0017 1 3 0
2.1230 2.1229 .0001 3 0 3
2.0100 2.0098 .0002 3 2 2
1.9300 1.9320 -.0020 2 3 2
1.8350 1.8345 .0005 3 2 3
1.8230 1.8229 .0001 0 4 0
1.7100 1.7100 .0000 2 3 3
a= 7.357 b= 7.2928 c= 7.361 beta= 60.09
da= .003 db=.0005 dc= .006 dbet=.001
V=342.4
72. 18-0520
Gd2iO5
Rombik
Groupa 30, 53
Dexp. Dcal. d(D) h k l
7.7000 7.7054 -.0054 1 1 0
3.5600 3.5630 -.0030 3 1 0
3.0700 3.0704 -.0004 3 2 0
3.0600 3.0524 .0076 0 2 2
3.0500 3.0516 -.0016 1 3 1
2.9760 2.9764 -.0004 2 3 0
2.9470 2.9479 -.0009 1 2 2
2.6670 2.6670 .0000 3 0 2
2.6240 2.6205 .0035 0 4 0
2.5660 2.5685 -.0025 3 3 0
2.5540 2.5535 .0005 1 4 0
2.3340 2.3325 .0015 2 3 2
a=11.366 b=10.4819 c= 7.51
da= .008 db= .0002 dc= .01
V= 894.7
73. 18-0819
TiMn3
Triuklin
Dexp Dcal d(D) h k l
2.3900 2.3899 .0001 0 2 2
2.3690 2.3703 -.0013 0 -2 2
2.2120 2.2128 -.0008 2 0 0
2.2030 2.2033 -.0003 2 0 2
2.1760 2.1763 -.0003 -2 0 1
2.1420 2.1416 .0004 -1 2 2
2.0920 2.0917 .0003 2 0 4
2.0770 2.0761 .0009 2 -1 1
2.0490 2.0481 .0009 1 -1 8
2.0380 2.0384 -.0004 1 -2 4
2.0230 2.0230 .0000 1 2 3
2.0080 2.0095 -.0015 2 0 5
A= 4.45490 DA= .00005
B= 4.9181 DB= .0007
C= 19.7029 DC= .0004
GAMMA= 93.79 DGAMMA= .01
BETA = 84.694 DBETA = .006
ALPHA= 89.361 DALPHA= .005
V=428.9
74. 18-0821
MnTi{SO4}3
Groupa 30,53
Dexp. Dcal. d(D) h k l
5.5000 5.5271 -.0271 0 0 2
4.1000 4.1084 -.0084 2 1 0
3.8000 3.8057 -.0057 2 0 2
3.1500 3.1494 .0006 1 2 0
2.7000 2.6981 .0019 3 1 2
2.4000 2.4012 -.0012 3 2 0
2.1000 2.0992 .0008 5 0 0
2.0000 2.0005 -.0005 5 1 0
1.9000 1.9029 -.0029 4 0 4
1.8000 1.7983 .0017 3 1 5
1.7500 1.7497 .0003 1 1 6
1.7500 1.7493 .0007 6 0 0
a=10.496 b= 6.603 c=11.054
da= .002 db= .001 dc= .008
V= 766.1
75. 18-0940
NaK{Ba,K}Ti2{Si2O7}2
Triklin
Dexp Dcal d(D) h k l
8.3950 8.3950 .0000 1 0 0
8.2830 8.2855 -.0025 1 1 0
4.2000 4.1995 .0005 -1 -1 2
4.0540 4.0523 .0017 1 1 2
3.6300 3.6301 -.0001 2 -1 1
3.5030 3.4999 .0031 -2 0 1
3.3990 3.3979 .0011 -2 1 0
3.2010 3.2009 .0001 1 2 2
2.9110 2.9108 .0002 3 0 1
2.6910 2.6906 .0004 1 4 0
2.6340 2.6337 .0003 3 2 2
2.3720 2.3724 -.0004 -2 2 1
A= 9.295 DA= .002
B= 11.364 DB= .002
C= 10.3666 DC= .0002
GAMMA= 69.99 DGAMMA= .02
BETA = 81.658 DBETA = .005
ALPHA=107.39 DALPHA= .02
V= 943.8
76. 18-0958
Ti2Pd
Triklin
Dexp Dcal d(D) h k l
5.0100 5.0091 .0009 0 -1 1
2.9490 2.9491 -.0001 2 -1 1
2.5050 2.5046 .0004 0 -2 2
2.2720 2.2739 -.0019 2 1 3
2.1880 2.1871 .0009 -2 2 2
2.0050 2.0057 -.0007 4 0 0
1.6830 1.6830 .0000 -3 3 1
1.5680 1.5689 -.0009 -2 -5 1
1.3750 1.3751 -.0001 -5 -3 2
1.3290 1.3290 .0000 2 -5 1
1.2990 1.2990 -.0000 -4 1 4
1.2770 1.2771 -.0001 6 3 3
A= 8.40423 DA= .00008
B= 8.751 DB= .002
C= 7.608 DC= .001
GAMMA= 72.97 DGAMMA= .01
BETA = 83.20 DBETA = .02
ALPHA= 76.88 DALPHA= .03
V=520.2
77. 18-0959
Ti2Pd3
Triklin
Dexp Dcal d(D) h k l
3.3200 3.3201 -.0001 -1 2 0
3.1900 3.1886 .0014 1 2 0
2.7940 2.7975 -.0035 1 -2 2
2.3850 2.3858 -.0008 1 2 4
2.3200 2.3196 .0004 -1 0 4
2.1550 2.1540 .0010 -1 2 4
2.0790 2.0791 -.0001 2 -1 4
1.6400 1.6400 .0000 3 2 4
1.4320 1.4321 -.0001 -2 0 6
1.3990 1.3988 .0002 2 -4 4
1.3530 1.3530 -.0000 0 -4 5
1.3070 1.3070 -.0000 0 6 0
A= 5.9307 DA= .0003
B= 7.958 DB= .001
C= 11.342 DC= .004
GAMMA= 90.68 DGAMMA= .01
BETA = 79.33 DBETA = .01
ALPHA= 80.52 DALPHA= .02
V= 518.4
78. 18-1052
K4TiO4
Triklin
Dexp Dcal d(D) h k l
5.5000 5.5027 -.0027 1 0 1
5.0600 5.0799 -.0199 1 1 1
4.7700 4.7638 .0062 0 -1 1
4.3200 4.3202 -.0002 2 1 1
3.9800 3.9802 -.0002 -2 -1 1
3.6700 3.6673 .0027 1 2 1
3.4800 3.4817 -.0017 2 2 1
2.9910 2.9919 -.0009 1 0 2
2.9310 2.9323 -.0013 0 1 2
2.8330 2.8341 -.0011 2 3 0
2.7240 2.7272 -.0032 0 3 0
2.6670 2.6679 -.0009 -2 2 1
A= 12.1527 DA= .0003
B= 8.6482 DB= .0003
C= 6.15558 DC= .00001
GAMMA= 71.441 DGAMMA= .003
BETA = 86.398 DBETA = .002
ALPHA= 85.421 DALPHA= .002
V=610.9
79. 18-1261
Na2{TiO}{SiO4}
Rombik
Groupa 48
Dexp. Dcal. d(D) h k l
5.0800 5.0900 -.0100 0 1 1
3.9900 3.9982 -.0082 1 1 1
3.2500 3.2304 .0196 2 0 0
2.7300 2.7275 .0025 2 1 1
2.5400 2.5450 -.0050 0 2 2
2.5100 2.5069 .0031 1 2 1
2.3700 2.3679 .0021 1 2 2
2.2800 2.2796 .0004 0 1 5
1.7000 1.6967 .0033 0 3 3
1.6400 1.6410 -.0010 1 3 3
1.6300 1.6312 -.0012 3 0 5
1.5010 1.5021 -.0011 2 3 3
1.4640 1.4637 .0003 1 2 7
1.4070 1.4068 .0002 3 3 0
1.3930 1.3934 -.0004 0 4 0
a= 6.46 b= 5.57373 c=12.49
da= .01 db= .00002 dc= .03
V=450
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.0800 5.0774 .0026 0 0 1
3.9900 3.9912 -.0012 -1 1 1
3.2500 3.2529 -.0029 2 2 0
2.7300 2.7316 -.0016 -2 2 1
2.5400 2.5387 .0013 0 0 2
2.5100 2.5118 -.0018 -1 3 1
2.3700 2.3698 .0002 1 1 2
2.2800 2.2798 .0002 2 3 1
1.7000 1.7006 -.0006 2 5 0
1.6400 1.6403 -.0003 1 1 3
1.6300 1.6299 .0001 5 2 1
1.5010 1.5008 .0002 -3 5 1
1.4640 1.4638 .0002 -1 5 2
1.4070 1.4070 .0000 -3 2 3
a= 9.260 b= 9.142 c= 5.0776 beta= 89.5
da=.006 db=.003 dc=.0004 dbeta=.06
V= 429.8
80. 18-1596
C10H10Ti
Triklin
Dexp Dcal d(D) h k l
9.3000 9.3043 -.0043 0 0 1
6.9000 6.8940 .0060 1 1 0
5.6000 5.6001 -.0001 1 1 1
5.3000 5.2996 .0004 1 -1 1
4.6400 4.6426 -.0026 -1 1 0
3.6000 3.6001 -.0001 2 0 2
2.6200 2.6203 -.0003 1 -3 2
2.3100 2.3100 .0000 -1 3 0
1.9900 1.9900 .0000 3 4 0
1.9000 1.9000 .0000 1 2 4
.8400 .8400 .0000 7 7 6
A= 8.0908 DA= .0006
B= 9.48544 DB= .00005
C= 10.6419 DC= .0001
GAMMA= 74.91 DGAMMA= .01
BETA = 74.310 DBETA = .003
ALPHA=108.59 DALPHA= .02
V= 689.4