1. 23-0030
{NH4}2V12O29
Triklin
Dexp Dcal d(D) h k l
8.4700 8.4696 .0004 1 1 0
7.1200 7.1208 -.0008 0 -1 1
4.2600 4.2602 -.0002 0 -3 1
3.3200 3.3198 .0002 2 -2 2
3.2100 3.2097 .0003 3 2 0
3.1000 3.0992 .0008 2 1 2
2.9000 2.8997 .0003 3 0 2
2.8400 2.8395 .0005 2 4 0
2.5700 2.5697 .0003 -2 -3 2
2.4100 2.4097 .0003 0 0 3
2.3500 2.3502 -.0002 -2 -4 2
2.0200 2.0198 .0002 3 5 1
A= 11.2655 DA= .0003
B= 13.6790 DB= .0002
C= 7.6406 DC= .0002
GAMMA= 93.001 DGAMMA= .002
BETA = 77.38326 DBETA = .00001
ALPHA=104.486 DALPHA= .003
V= 1112.5
2. 23-0031
{NH4}V6O16
Triklin
Dexp Dcal d(D) h k l
5.5600 5.5526 .0074 0 1 0
4.4300 4.4301 -.0001 1 -1 1
4.1600 4.1553 .0047 0 -1 2
3.9600 3.9569 .0031 -1 1 1
3.4700 3.4706 -.0006 -2 1 0
3.2300 3.2366 -.0066 0 1 2
3.1400 3.1389 .0011 2 0 2
2.8100 2.8111 -.0011 1 -1 3
2.8000 2.8004 -.0004 -2 0 3
2.7200 2.7201 -.0001 -3 -1 2
2.5000 2.4991 .0009 -2 -2 2
2.4600 2.4597 .0003 -1 1 3
A= 9.505 DA= .001
B= 5.76155 DB= .00007
C= 9.92845 DC= .00003
GAMMA= 84.135 DGAMMA= .001
BETA = 98.746 DBETA = .005
ALPHA=105.027 DALPHA= .005
V=518.4
3. 23-0098
CdVO3
Triklin
Dexp Dcal d(D) h k l
7.1500 7.1628 -.0128 1 0 0
4.8900 4.8853 .0047 1 2 0
4.7100 4.7132 -.0032 1 0 1
4.2000 4.2002 -.0002 1 2 1
3.5700 3.5657 .0043 -1 2 0
3.5200 3.5204 -.0004 -2 -2 1
3.3000 3.3011 -.0011 0 3 0
3.2200 3.2185 .0015 1 0 2
3.0800 3.0805 -.0005 -2 -2 2
3.0000 3.0005 -.0005 0 1 3
2.9590 2.9583 .0007 0 -2 2
2.9480 2.9499 -.0019 1 -2 1
A= 8.0728 DA= .0007
B= 10.55244 DB= .00009
C= 9.611 DC= .001
GAMMA= 74.826 DGAMMA= .004
BETA =110.21 DBETA = .01
ALPHA= 83.064 DALPHA= .003
V=720.2
4. 23-0104
CdV3O7
Triklin
Dexp Dcal d(D) h k l
5.1500 5.1471 .0029 -1 1 1
4.7100 4.7077 .0023 -1 -1 1
4.6100 4.6076 .0024 -2 1 1
4.4400 4.4347 .0053 -1 3 0
4.1400 4.1392 .0008 -2 -1 1
3.6900 3.6877 .0023 -3 2 1
3.6500 3.6540 -.0040 3 -2 1
3.4800 3.4802 -.0002 -5 1 0
3.3800 3.3811 -.0011 1 3 1
3.3100 3.3104 -.0004 3 2 1
3.1600 3.1563 .0037 3 -3 1
3.0100 3.0091 .0009 -5 3 0
A= 17.430 DA= .001
B= 13.336 DB= .004
C= 5.682 DC= .001
GAMMA=102.29 DGAMMA= .01
BETA = 88.17 DBETA = .02
ALPHA= 86.80 DALPHA= .03
V=1288
5. 23-0132
Ca5F{VO4}3
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.8300 4.8319 -.0019 2 1 0
4.1900 4.1869 .0031 0 0 2
4.0000 3.9984 .0016 -2 0 1
3.9700 3.9722 -.0022 2 2 0
3.6100 3.6093 .0007 3 0 1
3.5100 3.5108 -.0008 1 2 2
3.2300 3.2307 -.0007 2 2 2
3.1700 3.1690 .0010 2 3 1
2.9000 2.9002 -.0002 1 0 3
2.8800 2.8804 -.0004 -3 1 1
2.8200 2.8201 -.0001 1 1 3
2.7900 2.7898 .0002 3 2 2
a= 10.955 b= 12.0836 c= 8.701 beta=74.23
da= .008 db=.0001 dc= .004 dbeta=.08
V= 1108
Triklin
Dexp Dcal d(D) h k l
4.8300 4.8285 .0015 -1 1 1
4.1900 4.1896 .0004 -2 1 1
4.0000 3.9999 .0001 -1 -1 1
3.9700 3.9690 .0010 0 -1 1
3.6100 3.6105 -.0005 -1 2 0
3.5100 3.5090 .0010 -3 1 1
3.2300 3.2286 .0014 2 -1 1
3.1700 3.1676 .0024 -2 2 1
2.9000 2.9022 -.0022 3 2 1
2.8800 2.8799 .0001 -4 -1 1
2.8200 2.8196 .0004 0 -2 1
2.7900 2.7894 .0006 4 2 0
A= 14.23 DA= .02
B= 8.0488 DB= .0004
C= 5.5965 DC= .0004
GAMMA= 84.14 DGAMMA= .01
BETA = 96.15 DBETA = .03
ALPHA= 76.038 DALPHA= .006
V= 613.1
6. 23-0268
GeV2O5
Triklin
Dexp Dcal d(D) h k l
4.7500 4.7493 .0007 2 1 0
4.3600 4.3662 -.0062 0 2 1
4.1400 4.1386 .0014 -2 2 0
4.0900 4.0909 -.0009 1 -1 1
3.4100 3.4085 .0015 3 0 0
3.2200 3.2205 -.0005 -1 -3 1
3.1600 3.1624 -.0024 -2 3 1
2.9810 2.9801 .0009 2 -2 1
2.9620 2.9675 -.0055 -1 4 1
2.8680 2.8681 -.0001 -2 4 0
2.7280 2.7280 .0000 -2 4 1
2.6960 2.6954 .0006 3 3 0
A= 10.393 DA= .001
B= 13.703 DB= .001
C= 5.37114 DC= .00006
GAMMA= 92.37 DGAMMA= .02
BETA =100.22 DBETA = .02
ALPHA= 84.356
V-748.9
7. 23-555
Sr16V18O61
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
6.4100 6.4059 .0041 1 1 0
3.8400 3.8408 -.0008 1 1 2
3.2400 3.2389 .0011 -2 0 1
3.1700 3.1683 .0017 3 0 1
2.9200 2.9193 .0007 1 3 1
2.2040 2.2032 .0008 -1 3 2
2.1440 2.1447 -.0007 4 0 3
1.8640 1.8638 .0002 5 1 2
1.8040 1.8040 -.0000 -3 2 2
1.6730 1.6731 -.0001 5 0 4
1.6230 1.6232 -.0002 -4 3 1
1.5740 1.5739 .0001 2 4 4
a= 9.512 b= 9.516 c= 8.400 beta= 65.59
da=.001 db=.001 dc=.002 dbet=.004
V=692
Triklin
Dexp Dcal d(D) h k l
6.4100 6.4093 .0007 1 0 0
3.8400 3.8432 -.0032 0 1 1
3.2400 3.2385 .0015 0 -1 1
3.1700 3.1695 .0005 -2 1 0
2.9200 2.9195 .0005 1 -1 1
2.2040 2.2045 -.0005 0 3 1
2.1440 2.1451 -.0011 2 2 0
1.8640 1.8649 -.0009 -2 1 2
1.8040 1.8038 .0002 3 -1 1
1.6730 1.6723 .0007 3 2 0
1.6230 1.6225 .0005 2 1 2
1.5740 1.5738 .0002 -4 2 1
A= 6.611 DA= .001
B= 7.277 DB= .003
C= 4.1727 DC= .0008
GAMMA=103.260 DGAMMA= .002
BETA = 97.786 DBETA = .002
ALPHA= 77.37 DALPHA= .01
V= 189.91
8. 23-0556
Sr2V2O7
Triklin
Dexp Dcal d(D) h k l
3.7500 3.7468 .0032 -2 2 0
3.5200 3.5186 .0014 -3 1 0
3.3400 3.3394 .0006 0 3 0
3.2000 3.2001 -.0001 1 3 0
3.1500 3.1497 .0003 0 1 1
3.1000 3.1010 -.0010 -1 0 1
2.9900 2.9896 .0004 -1 1 1
2.9360 2.9358 .0002 -1 -1 1
2.9120 2.9123 -.0003 2 0 1
2.8160 2.8165 -.0005 4 0 0
2.7130 2.7128 .0002 -4 1 0
2.4970 2.4978 -.0008 -3 3 0
A= 11.2865 DA= .0004
B= 10.02390 DB= .00006
C= 3.28911 DC= .00001
GAMMA= 90.0000 DGAMMA= .0002
BETA = 86.5726 DBETA = .0004
ALPHA= 88.0923 DALPHA= .0001
V=371.1
9. 23-0557
SrV2O6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.6300 3.6318 -.0018 3 0 0
3.3400 3.3367 .0033 0 0 3
3.2500 3.2486 .0014 3 0 2
3.1300 3.1310 -.0010 3 1 0
2.8590 2.8574 .0016 -3 1 1
2.8100 2.8095 .0005 -1 2 1
2.7230 2.7224 .0006 -1 1 3
2.6900 2.6872 .0028 2 2 0
2.5470 2.5473 -.0003 1 0 4
2.3560 2.3564 -.0004 3 2 1
2.2780 2.2790 -.0010 1 2 3
2.1890 2.1882 .0008 4 1 3
a= 11.099 b= 6.178 c= 10.197 beta= 79.001
da=.006 db=.002 dc=.001 dbeta=.05
V= 686.4
Triklin
Dexp Dcal d(D) h k l
3.6300 3.6278 .0022 0 -1 2
3.3400 3.3436 -.0036 -2 0 1
3.2500 3.2511 -.0011 0 1 2
3.1300 3.1300 .0000 0 2 0
2.8590 2.8613 -.0023 2 0 2
2.8100 2.8135 -.0035 0 2 1
2.7230 2.7267 -.0037 0 0 3
2.6900 2.6887 .0013 -2 0 2
2.5470 2.5452 .0018 1 -1 3
2.3560 2.3539 .0021 0 2 2
2.2780 2.2773 .0007 2 0 3
2.1890 2.1893 -.0003 0 -2 3
A= 7.577 DA= .004
B= 6.327 DB= .001
C= 8.260 DC= .003
GAMMA= 94.84 DGAMMA= .06
BETA = 85.870 DBETA = .001
ALPHA= 97.16 DALPHA= .02
V-391.1
10. 23-0558
SrV12O30
Triklin
Dexp Dcal d(D) h k l
9.7600 9.7611 -.0011 1 0 0
7.6200 7.6218 -.0018 1 1 0
7.3900 7.3850 .0050 0 -1 1
4.8100 4.8127 -.0027 -2 1 0
4.4200 4.4188 .0012 1 0 2
4.1800 4.1802 -.0002 2 -2 1
3.9000 3.8987 .0013 -2 0 1
3.6700 3.6736 -.0036 2 -1 2
3.5100 3.5106 -.0006 -1 4 0
3.4100 3.4070 .0030 2 -2 2
3.2300 3.2295 .0005 1 4 0
3.1800 3.1809 -.0009 0 -3 2
A= 10.1185 DA= .0008
B= 14.44117 DB= .00007
C= 9.055 DC= .002
GAMMA= 97.14 DGAMMA= .01
BETA = 76.605 DBETA = .005
ALPHA= 89.72 DALPHA= .02
V-1276.3
11. 23-0647
Ag1.2V3O8
Triklin
Dexp Dcal d(D) h k l
6.9000 6.9062 -.0062 0 1 0
5.2700 5.2635 .0065 0 -1 2
3.9100 3.9061 .0039 -1 0 1
3.6300 3.6294 .0006 -1 1 1
3.4600 3.4611 -.0011 -1 0 2
3.4200 3.4212 -.0012 1 -1 2
3.1800 3.1832 -.0032 1 1 0
3.0800 3.0800 .0000 0 -1 4
3.0300 3.0299 .0001 0 -2 3
2.9660 2.9640 .0020 1 1 1
2.6490 2.6489 .0001 1 1 2
2.5540 2.5542 -.0002 0 1 4
A= 4.1568 DA= .0004
B= 7.3212 DB= .0002
C= 12.552 DC= .001
GAMMA=102.97 DGAMMA= .01
BETA = 90.03 DBETA = .01
ALPHA=104.19 DALPHA= .001
V-360.2
12. 23-0721
V2S4O17*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.5800 8.5860 -.0060 1 0 0
7.6200 7.5882 .0318 1 0 1
5.9500 5.9148 .0352 0 1 0
4.2900 4.2930 -.0030 2 0 0
4.1300 4.1345 -.0045 2 0 1
3.8000 3.8032 -.0032 1 0 4
3.3900 3.3887 .0013 2 1 1
3.1900 3.1936 -.0036 2 1 2
3.1700 3.1647 .0053 1 0 5
3.0100 3.0085 .0015 -2 1 3
2.8070 2.8087 -.0017 3 0 1
2.7900 2.7904 -.0004 1 1 5
a=8.591 b= 5.91 c= 17.25 beta=91.9
da= .003 db=.01 dc=.01 dbeta=.1
V= 876
Triklin
Dexp Dcal d(D) h k l
8.5800 8.5723 .0077 1 0 0
7.6200 7.6086 .0114 1 1 0
5.9500 5.9772 -.0272 0 0 1
4.2900 4.2861 .0039 2 0 0
4.1300 4.1302 -.0002 -2 -1 1
3.8000 3.8043 -.0043 2 2 0
3.3900 3.3949 -.0049 2 1 1
3.1900 3.1897 .0003 -2 1 0
3.1700 3.1726 -.0026 3 1 0
3.0100 3.0104 -.0004 3 2 0
2.8070 2.8063 .0007 1 3 0
2.7900 2.7894 .0006 -2 -1 2
A= 9.853 DA= .002
B= 8.632 DB= .006
C= 6.432 DC= .004
GAMMA= 67.60 DGAMMA= .03
BETA =104.40 DBETA = .03
ALPHA= 80.92 DALPHA= .03
V= 470.0
13. 23-0724
V2{SO4}3*10H2O
Triklih
Dexp Dcal d(D) h k l
6.5500 6.5604 -.0104 1 0 0
5.6700 5.6693 .0007 1 1 1
4.6300 4.6309 -.0009 -1 -1 1
4.3100 4.3106 -.0006 0 -1 2
4.2400 4.2475 -.0075 1 -1 1
3.9700 3.9701 -.0001 0 2 0
3.9300 3.9348 -.0048 0 1 3
3.7700 3.7663 .0037 -1 1 2
3.7300 3.7281 .0019 1 1 3
3.5700 3.5673 .0027 1 -1 2
3.5300 3.5296 .0004 0 -2 1
3.2800 3.2802 -.0002 2 0 0
A= 6.77204 DA= .00006
B= 8.3717 DB= .0002
C= 12.4134 DC= .0002
GAMMA= 77.142 DGAMMA= .001
BETA = 80.612 DBETA = .001
ALPHA= 75.005 DALPHA= .002
V=658.1
14. 23-0725
{VO2}2S2O7
Triklin
Dexp Dcal d(D) h k l
9.7100 9.6804 .0296 0 0 1
6.5800 6.5750 .0050 -1 0 1
6.4100 6.4030 .0070 0 -2 1
5.8400 5.8380 .0020 2 0 0
4.9400 4.9365 .0035 -1 -2 1
4.6100 4.6088 .0012 2 1 1
4.2200 4.2224 -.0024 -1 -1 2
4.1100 4.1096 .0004 -2 1 1
4.0800 4.0833 -.0033 0 3 0
4.0500 4.0477 .0023 -1 3 0
4.0000 4.0006 -.0006 3 -2 1
3.7800 3.7802 -.0002 -1 -3 1
A= 12.767 DA= .004
B= 13.882 DB= .002
C= 11.33 DC= .01
GAMMA=107.16 DGAMMA= .01
BETA = 67.67 DBETA = .01
ALPHA=116.82 DALPHA= .05
V-1645.3
15. 23-0726
{VO2}2S2O7*2H2O
Triklin
Dexp Dcal d(D) h k l
8.8900 8.9004 -.0104 1 0 0
7.7600 7.7522 .0078 0 1 1
6.6500 6.6355 .0145 0 -1 1
6.0800 6.0758 .0042 -1 1 0
5.8500 5.8528 -.0028 -1 0 1
5.5900 5.5845 .0055 1 1 2
4.9800 4.9855 -.0055 -1 -1 1
4.7500 4.7448 .0052 2 1 1
4.7000 4.6962 .0038 1 2 1
4.4400 4.4425 -.0025 1 -1 2
4.0000 3.9954 .0046 -1 0 2
3.9800 3.9807 -.0007 1 1 3
A= 9.92 DA= .01
B= 9.784 DB= .001
C= 12.17 DC= .01
GAMMA= 77.48 DGAMMA= .04
BETA = 64.92 DBETA = .03
ALPHA= 76.72 DALPHA= .04
V= 1031.1
|
16. 23-0727
V2+4O4*2H2O
Triklin
Dexp Dcal d(D) h k l
7.4600 7.4765 -.0165 1 0 0
4.5900 4.5890 .0010 -1 1 1
4.0500 4.0455 .0045 -1 -1 1
3.7200 3.7194 .0006 -1 2 1
3.4600 3.4582 .0018 0 -2 1
2.8000 2.8009 -.0009 0 3 1
2.5280 2.5285 -.0005 -3 1 0
2.4800 2.4790 .0010 -3 0 1
2.4180 2.4177 .0003 -3 2 1
2.2800 2.2796 .0004 2 2 1
2.2370 2.2372 -.0002 -2 4 0
2.2040 2.2040 -.0000 1 1 2
A= 7.843 DA= .001
B= 9.952 DB= .002
C= 5.299 DC= .001
GAMMA=101.51 DGAMMA= .03
BETA =104.14 DBETA = .04
ALPHA= 84.80 DALPHA= .01
V= 392.7
17. 23-0793
{NH4}2V4O9
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
8.9200 8.8993 .0207 1 0 1
3.0400 3.0385 .0015 0 2 1
2.9600 2.9636 -.0036 2 2 0
2.7200 2.7188 .0012 0 2 2
2.6700 2.6741 -.0041 6 0 1
2.2200 2.2198 .0002 7 1 0
1.9200 1.9205 -.0005 5 2 3
1.7300 1.7302 -.0002 5 2 4
1.5760 1.5758 .0002 9 2 1
1.3640 1.3645 -.0005 6 4 1
a=16.59 b= 6.3462 c=10.546
da= .01 db= .0006 dc= .006
V=1110
18. 23-0837
Ba3Ti3V4O19
Rombik
Groupa 52
Dexp. Dcal. d(D) h k l
3.5600 3.5595 .0005 0 2 0
3.4000 3.3995 .0005 1 0 1
3.1800 3.1742 .0058 0 1 1
3.0700 3.0677 .0023 1 1 1
2.7590 2.7533 .0057 4 1 0
2.4820 2.4818 .0002 3 1 1
2.1740 2.1748 -.0008 4 1 1
2.1230 2.1245 -.0015 3 2 1
1.9460 1.9458 .0002 1 3 1
1.9080 1.9085 -.0005 5 1 1
a=11.943 b= 7.119 c= 3.5462
da= .002 db= .002 dc= .0003
V=301.5
19. 23-0838
BaV2O6
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
4.5300 4.5365 -.0065 3 0 1
3.5100 3.5097 .0003 1 1 1
3.3400 3.3418 -.0018 3 0 2
3.1800 3.1849 -.0049 3 1 0
2.9880 2.9849 .0031 3 1 1
2.8530 2.8529 .0001 0 0 3
2.6900 2.6881 .0019 2 0 3
2.3970 2.3949 .0021 5 1 1
2.2180 2.2173 .0007 6 1 0
2.1240 2.1250 -.0010 3 1 3
1.9840 1.9847 -.0007 7 1 0
a=16.050 b= 3.964 c= 8.55869
da= .007 db= .001 dc= .0006
V= 544.5
20. 23-0865
Ca2V2O7
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.9000 6.9265 -.0265 2 0 0
6.3000 6.3065 -.0065 1 1 0
4.6200 4.6177 .0023 3 0 0
4.3300 4.3313 -.0013 1 1 2
3.4800 3.4821 -.0021 3 1 1
3.2100 3.2101 -.0001 -4 1 2
3.1500 3.1533 -.0033 2 2 0
3.1000 3.0996 .0004 1 0 4
3.0400 3.0418 -.0018 -2 2 2
2.9800 2.9778 .0022 2 2 1
2.8700 2.8675 .0025 -3 2 1
2.8200 2.8200 .0000 3 0 3
a= 14.66 b= 7.083 c= 14.51 beta= 109.08
da=.01 db=.004 dc=.01 dbeta=.01
V= 1423
Triklin
Dexp Dcal d(D) h k l
6.9000 6.9114 -.0114 0 0 1
6.3000 6.2979 .0021 -1 1 0
4.6200 4.6187 .0013 0 -2 1
4.3300 4.3343 -.0043 1 1 1
3.4800 3.4781 .0019 -1 3 0
3.2100 3.2124 -.0024 1 -3 1
3.1500 3.1490 .0010 -2 2 0
3.1000 3.0993 .0007 -2 1 1
3.0400 3.0414 -.0014 -1 -3 1
2.9800 2.9792 .0008 -1 1 2
2.8700 2.8697 .0003 1 -2 2
2.8200 2.8228 -.0028 -2 2 1
A= 7.173 DA= .002
B= 11.492 DB= .001
C= 6.9431 DC= .0002
GAMMA= 94.75 DGAMMA= .02
BETA = 90.343 DBETA = .006
ALPHA= 95.43 DALPHA= .02
V= 567.8
21. 23-0915
C12H12Cs3N2O12V
Triklin
Dexp Dcal d(D) h k l
6.6500 6.6561 -.0061 0 0 1
6.1000 6.1003 -.0003 -1 2 0
4.7800 4.7806 -.0006 0 -2 1
4.4200 4.4173 .0027 1 0 1
4.0700 4.0697 .0003 -2 2 0
3.6600 3.6607 -.0007 -2 3 1
3.2400 3.2401 -.0001 -1 4 1
3.1400 3.1445 -.0045 2 2 0
3.0000 2.9973 .0027 -3 0 1
2.8700 2.8698 .0002 -3 1 0
2.6000 2.6001 -.0001 -2 5 0
2.5300 2.5295 .0005 -3 -1 2
A= 9.409 DA= .001
B= 13.954 DB= .005
C= 7.25590 DC= .00008
GAMMA=107.07 DGAMMA= .05
BETA =113.413 DBETA = .007
ALPHA= 84.79 DALPHA= .01
V= 835.5
22. 23-1135
Fe1.75VSi
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
3.2400 3.2409 -.0009 3 1 0
2.8100 2.8147 -.0047 3 2 0
2.4600 2.4588 .0012 0 4 0
2.1800 2.1802 -.0002 1 2 1
2.0600 2.0595 .0005 5 0 0
1.9900 1.9895 .0005 0 3 1
1.9000 1.8997 .0003 5 2 0
1.4100 1.4101 -.0001 3 5 1
a=10.2977 b= 9.835 c= 2.50312
da= .0002 db= .001 dc= .00005
V= 253.52
23. 23-1233
Mg{VO3}2
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
6.1900 6.2379 -.0479 1 0 2
4.2900 4.2920 -.0020 1 0 3
3.3700 3.3762 -.0062 0 1 0
3.2200 3.2229 -.0029 1 1 1
3.1200 3.1190 .0010 2 0 4
3.0500 3.0480 .0020 6 0 1
2.9050 2.8998 .0052 3 1 1
2.7120 2.7109 .0011 3 1 2
2.3130 2.3130 -.0000 8 0 1
2.3020 2.3050 -.0030 4 0 5
2.1890 2.1893 -.0003 1 0 6
2.1690 2.1692 -.0002 6 1 2
a=18.79 b= 3.376 c=13.225
da= .01 db= .002 dc= .007
V= 839
Triklin
Dexp. Dcal. d(D) h k l
6.1900 6.1858 .0042 2 -1 0
4.2900 4.2921 -.0021 3 0 0
3.3700 3.3705 -.0005 4 -1 0
3.2200 3.2191 .0009 4 0 0
3.1200 3.1199 .0001 1 -3 0
3.0500 3.0510 -.0010 -1 0 1
2.9050 2.9063 -.0013 0 -1 1
2.7120 2.7146 -.0026 -3 -2 0
2.3130 2.3138 -.0008 -4 0 1
2.3020 2.3039 -.0019 -4 -2 0
2.1890 2.1888 .0002 4 -1 1
2.1690 2.1692 -.0002 4 -4 0
A= 13.551 DA= .004
B= 9.391 DB= .002
C= 3.0949 DC= .0008
GAMMA=107.681 DGAMMA= .007
BETA = 94.631 DBETA = .004
ALPHA= 88.01 DALPHA= .01
V= 374.0
24. 23-1368
K6{SO4}3{V2O5}5*xH2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.4300 7.4278 .0022 1 1 0
6.2700 6.2789 -.0089 -1 0 1
5.2800 5.2761 .0039 -1 1 1
4.9500 4.9491 .0009 2 1 0
3.9000 3.9079 -.0079 -1 0 2
3.8500 3.8463 .0037 -1 2 1
3.7800 3.7823 -.0023 3 1 1
3.6300 3.6265 .0035 -1 1 2
3.1200 3.1222 -.0022 1 3 0
2.7330 2.7324 .0006 1 3 2
2.3310 2.3310 .0000 4 2 3
a= 12.328 b= 9.73 c= 10.15 beta= 68.8
da=.004 db= .01 dc= .03 dbeta=.1
9.673091E-02
V= 1135
Triklin
Dexp Dcal d(D) h k l
7.4300 7.4172 .0128 0 1 1
6.2700 6.2769 -.0069 1 0 1
5.2800 5.2903 -.0103 0 -1 1
4.9500 4.9496 .0004 0 1 2
3.9000 3.9004 -.0004 1 -2 0
3.8500 3.8491 .0009 -1 2 1
3.7800 3.7791 .0009 1 -1 2
3.6300 3.6291 .0009 0 -1 2
3.1200 3.1202 -.0002 1 2 2
2.7330 2.7332 -.0002 -1 2 3
2.3310 2.3309 .0001 2 2 1
A= 6.947 DA= .001
B= 8.494 DB= .004
C= 10.58 DC= .01
GAMMA=103.35 DGAMMA= .04
BETA = 78.49 DBETA = .03
ALPHA= 74.20 DALPHA= .03
V= 561.0
25. 23-1959
C24H54O12P3V
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
17.7000 17.4291 .2709 1 0 0
15.8000 15.7100 .0900 0 0 1
8.2600 8.2834 -.0234 -1 0 2
5.2400 5.2367 .0033 0 0 3
4.6200 4.6189 .0011 -4 0 1
4.3300 4.3233 .0067 0 1 0
3.9700 3.9744 -.0044 1 1 1
3.5400 3.5401 -.0001 -3 1 1
a= 18.513 b= 4.323 c= 16.7 beta= 109.7
da=.004 db=.005 dc=.2 dbeta=.7
V= 1257
Triklin
Dexp. Dcal. d(D) h k l
17.7000 17.7001 -.0001 1 0 0
15.8000 15.8015 -.0015 0 0 1
8.2600 8.2602 -.0002 -2 0 1
5.2400 5.2374 .0026 1 1 1
4.6200 4.6236 -.0036 2 1 1
4.3300 4.3300 .0000 0 -1 2
3.9700 3.9689 .0011 3 1 1
3.5400 3.5400 -.0000 5 0 0
A= 17.8972 DA= .0002
B= 5.688 DB= .002
C= 16.114 DC= .001
GAMMA= 90.23 DGAMMA= .02
BETA = 98.474 DBETA = .006
ALPHA= 82.5425 DALPHA= .0004
V= 1608.5
26. 23-1960
C24H54O9P3V
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
16.0000 15.9978 .0022 1 0 1
14.5000 14.4405 .0595 2 0 0
7.5500 7.5485 .0015 1 1 2
6.3700 6.3629 .0071 4 1 0
4.9500 4.9504 -.0004 5 0 2
4.3700 4.3700 .0000 0 3 1
a=28.881 b=13.4628 c=19.215
da= .001 db= .0003 dc= .001
V=7471.2
Grupa 16
Dexp. Dcal. d(D) h k l
16.0000 15.9595 -.0405 0 2 0
14.5000 14.3790 -.1210 1 0 0
7.5500 7.5504 .0004 0 0 1
6.3700 6.3838 .0138 0 5 0
4.9500 4.9499 -.0001 2 2 1
4.3700 4.3701 .0001 3 3 0
a=14.379 b=31.92 c= 7.5504
da=.006 db=.08 dc=.0001
V= 3465
27. 23-1961
C12H30O9P3V
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
12.6000 12.6000 .0000 1 0 0
11.3000 11.3400 -.0400 0 1 0
6.2300 6.2185 .0115 1 0 1
6.2300 6.3000 -.0700 2 0 0
4.7200 4.7269 -.0069 2 0 1
3.9500 3.9385 .0115 3 1 0
3.4500 3.4498 .0002 3 1 1
a=12.600 b=11.340 c= 7.150
da= .001 db= .003 dc= .001
V=1021.6
28. 23-1962
C60H40As2N6S6V
Triklin
Dexp Dcal d(D) h k l
10.2000 10.1719 .0281 0 1 1
9.1000 9.1259 -.0259 1 0 0
8.3300 8.3508 -.0208 1 1 0
7.7600 7.7651 -.0051 1 0 1
7.3700 7.3702 -.0002 1 -1 1
7.1300 7.1321 -.0021 1 2 0
6.7600 6.7578 .0022 1 2 1
6.2000 6.1885 .0115 -1 0 1
5.8700 5.8687 .0013 1 3 1
5.6800 5.6777 .0023 1 -3 1
5.4600 5.4611 -.0011 -1 3 1
4.1800 4.1807 -.0007 -1 1 2
A= 9.386 DA= .003
B= 26.255 DB= .005
C= 10.722 DC= .002
GAMMA= 93.81 DGAMMA= .02
BETA = 77.704 DBETA = .002
ALPHA= 82.05 DALPHA= .01
V=2540
29. 23-1963
C3H10ClO3V
Triklin
Dexp Dcal d(D) h k l
9.9400 9.9503 -.0103 0 1 1
8.6700 8.6641 .0059 0 -1 1
7.6600 7.6549 .0051 1 0 1
6.8100 6.8051 .0049 1 1 0
6.2900 6.2860 .0040 0 -1 2
5.0200 5.0196 .0004 0 -2 1
4.5500 4.5503 -.0003 1 1 3
4.3200 4.3212 -.0012 1 -2 1
4.1600 4.1662 -.0062 2 0 1
3.5700 3.5705 -.0005 0 3 2
3.0700 3.0699 .0001 -2 -2 2
2.8500 2.8502 -.0002 0 1 6
A= 8.617 DA= .003
B= 11.1354 DB= .0007
C= 17.201 DC= .002
GAMMA= 89.739 DGAMMA= .008
BETA = 90.53 DBETA = .01
ALPHA= 81.34 DALPHA= .01
V= 1631.5
30. 23-1964
C6H18O9P3V
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
11.0000 11.0891 -.0891 1 0 0
10.0000 10.1576 -.1576 0 0 2
5.0800 5.0788 .0012 0 0 4
4.6200 4.6175 .0025 1 0 4
3.9400 3.9425 -.0025 0 1 1
3.7800 3.7784 .0016 1 1 0
3.3000 3.2996 .0004 1 1 3
a=11.0891 b= 4.01893 c=20.315
da= .0008 db= .00007 dc= .004
V= 905.4
31. 23-1965
C10H14O5V
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.8100 6.7986 .0114 1 1 0
6.4600 6.4556 .0044 0 1 1
6.3300 6.3186 .0114 2 0 1
4.7500 4.7495 .0005 2 0 2
4.0800 4.0808 -.0008 -3 0 1
3.9700 3.9664 .0036 3 1 0
3.5300 3.5316 -.0016 -1 2 1
3.4400 3.4417 -.0017 4 0 1
3.2000 3.1999 .0001 -2 2 1
a=13.95 b= 7.810 c= 11.583150 beta= 82.0
da=.02 db= .008 dc=.08 dbeta=.4
V= 1250
32. 23-1966
C21H19Cl2N3OV
Triklin
Dexp. Dcal. d(D) h k l
8.1200 8.1133 .0067 1 -1 0
6.8100 6.8100 .0000 2 -1 0
5.9100 5.9176 -.0076 3 0 0
5.1900 5.1897 .0003 0 1 1
4.4400 4.4382 .0018 4 0 0
3.9500 3.9488 .0012 2 -1 1
3.0600 3.0586 .0014 0 -2 1
2.6600 2.6600 .0000 4 -2 1
2.4100 2.4107 -.0007 7 -2 0
2.2000 2.1999 .0001 -5 -2 1
2.0700 2.0697 .0003 3 -4 0
1.8000 1.7990 .0010 -3 -4 0
1.5700 1.5701 -.0001 6 3 2
1.4800 1.4799 .0001 -2 -4 2 7
A= 18.477 DA= .005
B= 8.551 DB= .001
C= 5.955 DC= .001
GAMMA=104.76 DGAMMA= .01
BETA = 99.42 DBETA = .02
ALPHA= 77.159 DALPHA= .009
V= 881.4 |
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