1. 21-0040
NH4VO3*H2O
Triklin
Dexp Dcal d(D) h k l
5.7500 5.7491 .0009 0 1 1
4.7900 4.7928 -.0028 1 1 0
4.0800 4.0808 -.0008 0 -1 1
3.7000 3.7019 -.0019 0 2 0
3.4500 3.4490 .0010 1 2 0
3.1200 3.1213 -.0013 -1 0 2
2.8700 2.8745 -.0045 0 2 2
2.6700 2.6690 .0010 -2 0 1
2.6000 2.6012 -.0012 2 1 0
2.4100 2.4104 -.0004 -2 1 1
2.1000 2.0992 .0008 -1 2 3
1.9460 1.9460 .0000 -2 -3 1
1.7830 1.7829 .0001 2 1 2
1.6180 1.6180 .0000 -2 3 3
1.5330 1.5330 .0000 1 -1 3
A= 5.4318 DA= .0008
B= 7.976 DB= .001
C= 6.738 DC= .002
GAMMA= 80.266 DGAMMA= .002
BETA =106.131 DBETA = .009
ALPHA= 74.26 DALPHA= .02
V= 260.3
2. 21-0041
{NH4}V6O17*14H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.5300 8.4788 .0512 0 1 0
7.7100 7.6743 .0357 -1 0 1
5.6800 5.6897 -.0097 -1 1 1
3.9000 3.8988 .0012 3 0 0
3.5400 3.5423 -.0023 3 1 0
3.2000 3.2007 -.0007 3 1 1
2.8700 2.8697 .0003 3 2 0
2.2100 2.2098 .0002 5 0 1
2.0300 2.0300 .0000 -3 1 4
a= 11.77 b= 8.48 c= 9.29 beta= 96.39
da=.01 db=.01 dc=.02 dbeta=.012
V= 921
3. 21-0092
Ba0.17V2O5
Rombik
Groupa 34,58
Dexp. Dcal. d(D) h k l
7.7000 7.6955 .0045 2 1 0
7.4800 7.3809 .0991 0 1 1
4.7700 4.7301 .0399 3 2 0
3.9300 3.9364 -.0064 1 4 0
3.6900 3.6905 -.0005 0 2 2
3.4900 3.4907 -.0007 4 2 1
3.4200 3.4213 -.0013 5 1 0
3.2300 3.2302 -.0002 1 3 2
3.1800 3.1782 .0018 1 5 0
3.1200 3.1189 .0011 3 2 2
2.9360 2.9352 .0008 5 3 0
2.7440 2.7439 .0001 6 2 0
a=17.503 b=16.16 c= 8.297
da= .002 db= .03 dc= .001
v=2347
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
7.7000 7.7055 -.0055 -1 0 2
7.4800 7.5017 -.0217 2 0 0
4.7700 4.7756 -.0056 3 0 1
3.9300 3.9307 -.0007 3 1 0
3.6900 3.6908 -.0008 -4 0 1
3.4900 3.4886 .0014 -4 0 2
3.4200 3.4166 .0034 4 0 2
3.2300 3.2305 -.0005 4 1 0
3.1800 3.1788 .0012 0 2 0
3.1200 3.1221 -.0021 4 0 3
2.9360 2.9386 -.0026 -1 2 2
2.7440 2.7426 .0014 1 2 3
a= 15.01 b= 6.358 c=17.66 beta=91.65
da=.01 db=.02 dc=.01 dbeta=.09
V= 1684
Triklin
Dexp Dcal d(D) h k l
7.7000 7.6902 .0098 1 0 0
7.4800 7.4744 .0056 0 0 1
4.7700 4.7725 -.0025 0 -2 1
3.9300 3.9319 -.0019 -1 -2 1
3.6900 3.6883 .0017 0 2 1
3.4900 3.4885 .0015 1 -1 2
3.4200 3.4170 .0030 -1 -1 2
3.2300 3.2280 .0020 1 -2 2
3.1800 3.1803 -.0003 -2 1 1
3.1200 3.1202 -.0002 -1 3 0
2.9360 2.9389 -.0029 1 1 2
2.7440 2.7434 .0006 -2 2 1
A= 7.714 DA= .002
B= 10.32585 DB= .00008
C= 7.773 DC= .002
GAMMA= 94.491 DGAMMA= .002
BETA = 88.987 DBETA = .008
ALPHA=105.93 DALPHA= .02
V= 593.5
4. 21-0169
Ca0.17V2O5
Rombik
Grupa 16
Dexp. Dcal. d(D) h k l
7.7000 7.7075 .0075 1 2 0
7.4000 7.3840 -.0160 1 0 1
5.0900 5.0919 .0019 2 1 1
4.8100 4.8164 .0064 1 3 1
3.8700 3.8664 -.0036 1 2 2
3.6600 3.6606 .0006 1 5 0
3.5100 3.5068 -.0032 0 5 1
3.3900 3.3876 -.0024 1 5 1
3.2300 3.2281 -.0019 4 1 0
3.1900 3.1923 .0023 2 3 2
3.0900 3.0917 .0017 2 5 1
2.9270 2.9269 -.0001 4 2 1
a= 13.102 b= 19.062 c= 8.939
da=.001 db=.006 dc=.0083
V= 2232
Triklin
Dexp Dcal d(D) h k l
7.7000 7.7008 -.0008 1 0 0
7.4000 7.3985 .0015 -1 1 0
5.0900 5.0919 -.0019 1 -1 2
4.8100 4.8075 .0025 -1 2 0
3.8700 3.8720 -.0020 -1 1 2
3.6600 3.6638 -.0038 1 -1 3
3.5100 3.5076 .0024 -1 -1 2
3.3900 3.3902 -.0002 -2 0 1
3.2300 3.2308 -.0008 -1 -2 1
3.1900 3.1904 -.0004 2 -1 3
3.0900 3.0923 -.0023 1 1 3
2.9270 2.9274 -.0004 -1 1 3
A= 8.619 DA= .002
B= 10.064 DB= .001
C= 11.259 DC= .002
GAMMA=113.43 DGAMMA=.06
BETA = 73.966 DBETA = .005
ALPHA=100.25 DALPHA= .05
V= 858.66
5. 21-0232
Cs2VOCl4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.5000 3.4996 .0004 2 1 1
3.4000 3.4002 -.0002 1 2 1
2.8920 2.8916 .0004 3 0 0
2.8040 2.8044 -.0004 2 2 1
2.7070 2.7067 .0003 0 3 0
2.4950 2.4942 .0008 -1 3 1
2.4300 2.4298 .0002 -2 1 3
2.2960 2.2963 -.0003 2 3 0
2.1190 2.1198 -.0008 -3 2 2
2.0730 2.0740 -.0010 3 0 3
1.9510 1.9511 -.0001 2 1 4
1.8450 1.8447 .0003 0 0 5
a= 8.679 b=8.1201 c= 9.228 beta= 91.80
da=.006 db=.0009 dc=.001 dbeta=.01
V= 650.0
Triklin
Dexp Dcal d(D) h k l
3.5000 3.5004 -.0004 -2 1 0
3.4000 3.4002 -.0002 0 -1 2
2.8920 2.8920 .0000 -2 1 1
2.8040 2.8039 .0001 2 -2 1
2.7070 2.7070 .0000 1 -2 2
2.4950 2.4953 -.0003 2 -1 3
2.4300 2.4305 -.0005 -2 -1 1
2.2960 2.2962 -.0002 -2 1 2
2.1190 2.1188 .0002 -1 3 0
2.0730 2.0733 -.0003 2 -3 1
1.9510 1.9509 .0001 3 1 2
1.8450 1.8451 -.0001 0 1 4
A= 7.6529 DA= .00055
B= 6.42624 DB= .00009
C= 8.2791 DC= .0007
GAMMA=108.5197 DGAMMA= .0009
BETA = 72.636 DBETA = .005
ALPHA= 98.458 DALPHA= .002
V= 367.88
6. 21-0236
Cr{VO3}3*8H2O
Triklin
Dexp Dcal d(D) h k l
9.4600 9.4687 -.0087 0 1 1
8.3200 8.3179 .0021 0 -1 1
7.2300 7.2171 .0129 -1 1 1
7.0800 7.0688 .0112 -1 1 0
6.8600 6.8471 .0129 -1 -1 1
5.9700 5.9703 -.0003 1 0 1
4.7100 4.7082 .0018 1 2 1
4.6300 4.6295 .0005 -1 2 2
4.1400 4.1379 .0021 1 1 2
4.1000 4.0985 .0015 -2 0 2
4.0600 4.0580 .0020 1 3 0
4.0100 4.0127 -.0027 -1 1 3
A= 8.914 DA= .001
B= 13.750 DB= .004
C= 12.362 DC= .002
GAMMA= 90.52 DGAMMA= .03
BETA =108.73 DBETA = .05
ALPHA= 82.738 DALPHA= .007
V= 1422.6
7. 21-237
Cr{VO3}3*6.5H2O
Triklin
Dexp Dcal d(D) h k l
9.4600 9.4607 -.0007 -1 0 1
7.7400 7.7326 .0074 1 2 0
7.2300 7.2271 .0029 0 -2 1
7.0800 7.0794 .0006 0 2 1
6.9000 6.8981 .0019 -1 2 0
5.9700 5.9544 .0156 1 0 1
5.7900 5.8050 -.0150 1 1 1
5.6400 5.6418 -.0018 1 -1 1
5.5000 5.4875 .0125 -1 0 2
5.2800 5.2808 -.0008 -2 1 1
4.7300 4.7303 -.0003 -2 0 2
4.6300 4.6293 .0007 1 3 1
A= 11.485 DA= .002
B= 20.865 DB= .009
C= 11.026 DC= .004
GAMMA= 82.18 DGAMMA= .01
BETA =115.99 DBETA = .01
ALPHA= 94.481 DALPHA= .006
V=2353
8. 21-0309
CuVO3
Triklin
Dexp Dcal d(D) h k l
6.4000 6.3917 .0083 1 0 1
3.7100 3.7117 -.0017 -1 1 1
3.6400 3.6377 .0023 1 -1 1
3.2200 3.2211 -.0011 0 1 2
3.0100 3.0077 .0023 2 -1 1
2.8400 2.8374 .0026 2 1 0
2.7300 2.7318 -.0018 3 0 1
2.6000 2.6011 -.0011 0 0 4
2.4300 2.4308 -.0008 1 0 4
2.3400 2.3395 .0005 -3 1 2
2.2400 2.2408 -.0008 -3 -1 1
2.2000 2.1997 .0003 -1 1 4
A= 8.813 DA= .0089
B= 4.172 DB= .001
C= 10.4503 DC= .0004
GAMMA= 96.826 DGAMMA= .001
BETA = 95.33 DBETA = .03
ALPHA= 90.0755 DALPHA= .0003
V= 379.8
9. 21-0393
H{VO2}3F4*H2O
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
5.6700 5.6543 .0157 3 0 0
5.2700 5.2655 .0045 0 2 0
5.0300 5.0288 .0012 1 2 0
3.5300 3.5281 .0019 0 1 2
3.4400 3.4375 .0025 1 3 0
3.3000 3.3028 -.0028 4 2 0
2.9760 2.9764 -.0004 2 3 1
2.6630 2.6652 -.0022 5 2 1
2.6030 2.6016 .0014 1 4 0
2.5320 2.5323 -.0003 1 3 2
2.3650 2.3635 .0015 6 2 1
2.2730 2.2740 -.0010 3 4 1
a=16.96 b=10.531 c= 7.4890
da= .01 db= .003 dc= .0008
v=1338
Triklin
Dexp Dcal d(D) h k l
5.6700 5.6728 -.0028 0 1 1
5.2700 5.2699 .0001 0 -1 1
5.0300 5.0316 -.0016 1 1 0
3.5300 3.5276 .0024 1 0 2
3.4400 3.4391 .0009 2 0 1
3.3000 3.3034 -.0034 2 1 0
2.9760 2.9747 .0013 -2 1 2
2.6630 2.6620 .0010 -2 -1 2
2.6030 2.6033 -.0003 2 -2 1
2.5320 2.5319 .0001 1 0 3
2.3650 2.3651 -.0001 0 3 1
2.2730 2.2729 .0001 0 -3 1
A= 8.069 DA= .004
B= 7.3325 DB= .0002
C= 8.3998 DC= .0006
GAMMA= 98.083 DGAMMA= .003
BETA = 96.950 DBETA = .007
ALPHA= 84.845 DALPHA= .005
V= 487.1
10. 21-0711
K2V8O21
Triklin
Dexp Dcal d(D) h k l
4.7000 4.7001 -.0001 1 0 0
3.5900 3.5903 -.0003 1 0 1
3.1700 3.1696 .0004 -1 -2 1
2.9700 2.9697 .0003 1 2 0
2.8500 2.8478 .0022 0 -2 2
2.5400 2.5407 -.0007 0 1 2
2.3600 2.3597 .0003 -2 -1 1
2.2100 2.2082 .0018 1 1 2
2.0800 2.0810 -.0010 2 2 0
1.9100 1.9095 .0005 -1 -3 3
1.8200 1.8190 .0010 1 -2 3
1.7400 1.7386 .0014 -1 1 3
A= 4.8176 DA= .0002
B= 7.3869 DB= .0006
C= 6.7891 DC= .0001
GAMMA= 78.7901 DGAMMA= .0004
BETA = 99.54 DBETA = .01
ALPHA=111.40 DALPHA= .0102
V=219.8
11. 21-0712
K12V2S12O47
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.5700 3.5679 .0021 2 0 1
3.1900 3.1892 .0008 2 1 0
2.9800 2.9802 -.0002 -2 0 1
2.8500 2.8523 -.0023 1 0 2
2.5700 2.5741 -.0041 1 2 0
2.4600 2.4565 .0035 0 2 1
2.4000 2.4017 -.0017 1 2 1
2.0600 2.0603 -.0003 -3 1 1
1.9700 1.9700 .0000 1 2 2
1.8900 1.8892 .0008 3 2 0
1.7900 1.7897 .0003 0 1 3
1.6200 1.6200 -.0000 3 1 3
1.4900 1.4901 -.0001 -4 0 2
a= 8.013 b= 5.448 c= 5.7905 beta= 79.02
da=.004 db=.005 dc=.0006 dbet=.03
V= 248.2
12. 21-0713
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
4.3300 4.3229 .0071 1 1 0
4.0300 4.0372 -.0072 5 0 0
3.3600 3.3643 -.0043 6 0 0
2.8800 2.8820 -.0020 4 1 1
2.7700 2.7725 -.0025 2 0 2
2.1600 2.1614 -.0014 2 2 0
1.9000 1.8989 .0011 8 0 2
1.8400 1.8391 .0009 5 2 1
1.7700 1.7704 -.0004 9 0 2
a=20.186 b= 4.426 c= 5.767
da= .002 db= .001 dc= .001
V= 515.2
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
4.3300 4.3221 .0079 1 0 1
4.0300 4.0294 .0006 0 1 1
3.3600 3.3604 -.0004 -1 0 1
2.8800 2.8812 -.0012 0 1 2
2.7700 2.7679 .0021 -1 1 1
2.1600 2.1610 -.0010 2 0 2
1.9000 1.8992 .0008 2 0 3
1.8400 1.8400 .0000 1 0 4
1.7700 1.7700 .0000 2 1 3
a= 4.5877 b= 4.881 c=7.4260 beta=73.992
da=.0006 db=.003 dc=.0002 dbet=.008
V-159.9
13. 21-0714
K2V2S2O12
Triklin
Dexp Dcal d(D) h k l
6.3900 6.3910 -.0010 0 1 0
4.3600 4.3599 .0001 -1 0 1
3.5700 3.5699 .0001 0 -1 2
3.3600 3.3601 -.0001 -2 1 0
3.0900 3.0901 -.0001 0 1 2
2.8400 2.8401 -.0001 -1 2 1
2.2000 2.2000 -.0000 -1 0 3
2.1700 2.1700 .0000 -3 2 0
2.0300 2.0300 .0000 3 -3 1
1.9300 1.9300 -.0000 0 0 4
1.8900 1.8900 .0000 -3 0 1
1.7700 1.7700 .0000 0 1 4
A= 7.1583 DA= .0005
B= 7.25514 DB= .00006
C= 8.2921 DC= .0003
GAMMA=116.7975 DGAMMA= .0005
BETA = 70.650 DBETA = .003
ALPHA=106.6138 DALPHA= .0002
V= 357.91
14. 21-0715
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
3.5700 3.5685 .0015 4 0 0
3.2600 3.2689 -.0089 0 0 4
3.1900 3.1864 .0036 1 0 4
3.0400 3.0478 -.0078 0 1 0
2.9800 2.9806 -.0006 1 1 0
2.8500 2.8548 -.0048 5 0 0
2.5700 2.5723 -.0023 1 0 5
2.4600 2.4603 -.0003 1 1 3
2.3400 2.3406 -.0006 6 0 1
2.2800 2.2820 -.0020 4 1 1
2.1800 2.1793 .0007 0 0 6
2.0600 2.0576 .0024 5 1 1
a=14.274 b= 3.04780 c=13.076
da= .004 db= .0002 dc= .005
V= 568.8
15. 21-0719
K8V2S8O33
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
3.5700 3.5712 -.0012 0 1 2
3.1900 3.1899 .0001 1 1 1
2.9800 2.9749 .0051 1 0 2
2.8900 2.8900 .0000 0 0 3
2.1000 2.1000 .0000 0 3 0
1.8900 1.8899 .0001 0 3 2
1.8900 1.8888 .0012 1 2 3
a= 4.090 b= 6.3001 c= 8.67
da= .001 db= .0003 dc= .001
V= 223.40
16. 21-1013
KV6O15
Triklin
Dexp Dcal d(D) h k l
7.2800 7.2851 -.0051 0 1 0
5.0200 5.0198 .0002 0 -1 2
4.7500 4.7505 -.0005 1 1 0
3.8300 3.8291 .0009 1 1 2
3.3700 3.3663 .0037 1 -1 3
3.1600 3.1601 -.0001 2 0 1
3.0600 3.0617 -.0017 -1 -2 1
2.9200 2.9194 .0006 2 1 0
2.7700 2.7722 -.0022 2 -1 2
2.5100 2.5099 .0001 0 -2 4
2.3700 2.3702 -.0002 0 3 1
2.2500 2.2500 -.0000 -2 -2 2
A= 6.4914 DA= .0009
B= 7.298 DB= .001
C= 13.2938 DC= .0004
GAMMA= 92.339 DGAMMA= .009
BETA = 89.12 DBETA = .01
ALPHA= 92.593 DALPHA= .003
V= 628.6
17. 21-1050
RbVF4
Triklin
Dexp Dcal d(D) h k l
3.2500 3.2504 -.0004 1 2 0
3.1800 3.1797 .0003 0 -1 1
2.6800 2.6786 .0014 -3 2 0
2.4700 2.4696 .0004 -1 3 0
2.4400 2.4399 .0001 0 3 0
2.3500 2.3522 -.0022 -2 3 0
2.3200 2.3200 .0000 -3 0 1
2.2200 2.2202 -.0002 3 1 1
2.0600 2.0596 .0004 1 -3 1
1.8990 1.8990 .0000 4 1 1
1.8580 1.8575 .0005 -1 4 0
1.6420 1.6422 -.0002 0 -4 1
A= 9.9766 DA= .0007
B= 7.4381 DB= .0002
C= 3.4808 DC= .0003
GAMMA=100.059 DGAMMA= .004
BETA = 86.577 DBETA = .001
ALPHA= 92.527 DALPHA= .001
V=253.8
18. 21-1051
RbVF4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.3800 3.3796 .0004 2 1 2
3.2400 3.2392 .0008 1 2 1
3.1300 3.1293 .0007 2 0 3
2.9800 2.9796 .0004 2 2 0
2.6800 2.6798 .0002 -4 0 2
2.4700 2.4701 -.0001 0 1 5
2.4200 2.4205 -.0005 0 2 4
2.3400 2.3404 -.0004 4 0 3
2.3100 2.3101 -.0001 -4 0 4
2.2400 2.2400 .0000 0 3 2
2.1800 2.1798 .0002 -2 0 6
2.1800 2.1794 .0006 2 3 0
2.1100 2.1099 .0001 2 1 5
a= 10.9910 b= 7.1468 c= 13.399 beta= 100.81
da= .004 db=.007 dc=.004 dbeta=.03
V= 1034
Triklin
Dexp Dcal d(D) h k l
3.3800 3.3807 -.0007 -2 2 0
3.2400 3.2394 .0006 2 -1 1
3.1300 3.1310 -.0010 0 3 0
2.9800 2.9794 .0006 3 2 0
2.6800 2.6797 .0003 4 0 0
2.4700 2.4707 -.0007 3 3 0
2.4200 2.4202 -.0002 0 -1 2
2.3400 2.3395 .0005 1 4 0
2.3100 2.3102 -.0002 0 1 2
2.2400 2.2401 -.0001 -4 2 0
2.1800 2.1798 .0002 -2 1 2
2.1100 2.1099 .0001 2 -1 2
A= 10.83153 DA= .00000
B= 9.48645 DB= .00002
C= 4.93632 DC= .00001
GAMMA= 84.09283 DGAMMA= .00004
BETA = 96.3599 DBETA = .0005
ALPHA= 96.0789 DALPHA= .0005
V=498.8
19. 21-1052
delta-Rb3VF6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.2000 3.1968 .0032 2 0 1
2.7290 2.7282 .0008 2 1 1
2.6180 2.6171 .0009 0 2 0
2.2260 2.2266 -.0006 8 0 0
2.0850 2.0861 -.0011 6 1 1
2.0240 2.0251 -.0011 2 2 1
1.8510 1.8513 -.0003 9 1 0
1.7450 1.7448 .0002 0 3 0
1.6040 1.6039 .0001 1 1 2
1.4350 1.4352 -.0002 6 1 2
1.3640 1.3641 -.0001 4 2 2
1.3100 1.3100 .0000 9 0 2
1.2710 1.2708 .0002 9 1 2
1.2140 1.2139 .0001 13 2 0
a= 17.83 b=5.234 c= 3.3747 beta= 87.66
da= .07 db=.001 dc= .0001 dbeta=.05
V= 314.6
20. 21-1053
Rb2V5F17
Rombik
Groupa 48
Dexp. Dcal. d(D) h k l
6.3600 6.3579 .0021 0 0 2
5.2100 5.2159 -.0059 4 0 0
4.0400 4.0325 .0075 4 0 2
3.7300 3.7362 -.0062 1 1 0
3.5900 3.5847 .0053 1 1 1
3.3300 3.3330 -.0030 3 1 0
3.2200 3.2212 -.0012 1 1 2
3.1800 3.1789 .0011 0 0 4
2.9700 2.9736 -.0036 5 0 3
2.8100 2.8086 .0014 5 1 0
2.6200 2.6200 .0000 3 1 3
2.5700 2.5691 .0009 5 1 2
a=20.86 b= 3.7976 c=12.72
da= .02 db= .0002 dc= .02
V=1007
21. 21-1054
beta-RbVF6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.4900 3.4888 .0012 2 1 0
3.2500 3.2512 -.0012 2 1 1
3.1800 3.1817 -.0017 0 1 2
3.1500 3.1465 .0035 3 0 0
2.9900 2.9895 .0005 3 0 1
2.6900 2.6896 .0004 0 0 3
2.5900 2.5895 .0005 3 1 1
2.5500 2.5488 .0012 -1 0 3
2.4900 2.4897 .0003 1 2 0
2.3600 2.3598 .0002 4 0 0
2.3400 2.3404 -.0004 1 1 3
2.2700 2.2682 .0018 2 2 0
A= 9.4547 DA= .0003
B= 5.1659 DB= .0006
C= 8.0817 DC= .0008
BETA = 86.75 DBETA = .01148
V=394
22. 21-1055
gamma-RbVF6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.5100 3.5100 -.0000 0 2 2
3.4600 3.4600 .0000 2 -1 2
3.2700 3.2700 .0000 -1 2 2
3.1800 3.1794 .0006 -1 3 1
2.9800 2.9807 -.0007 3 2 0
2.6000 2.6001 -.0001 0 4 1
2.5100 2.5101 -.0001 -4 0 1
2.4000 2.3997 .0003 4 2 0
2.3600 2.3601 -.0001 2 -4 1
2.3400 2.3400 -.0000 0 3 3
2.2600 2.2600 .0000 -1 -4 2
2.2500 2.2510 -.0010 0 -1 4
A= 10.743 DA= .001
B= 10.8389 DB= .0006
C= 9.2425 DC= .0006
BETA = 84.94 DBETA = .01191
V=1073
Triklin
Dexp Dcal d(D) h k l
3.5100 3.5093 .0007 0 1 1
3.4600 3.4599 .0001 0 -1 1
3.2700 3.2706 -.0006 -1 0 1
3.1800 3.1818 -.0018 -1 2 1
2.9800 2.9789 .0011 -1 -2 1
2.6000 2.5999 .0001 2 4 0
2.5100 2.5086 .0014 1 4 1
2.4000 2.3991 .0009 -2 4 1
2.3600 2.3604 -.0004 -3 2 0
2.3400 2.3409 -.0009 0 6 1
2.2600 2.2594 .0006 0 8 0
2.2500 2.2500 .0000 -1 8 0
A= 7.15065 DA= .00004
B= 18.29601 DB= .00001
C= 3.56513 DC= .00000
GAMMA= 98.6626 DGAMMA= .0002
BETA = 94.6414 DBETA = .0001
ALPHA= 87.19265 DALPHA= .00002
V-459.3
23. 21-1056
alfa-Rb3VF6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.5700 3.5692 .0008 -2 1 2
3.5100 3.5132 -.0032 -3 1 1
3.2700 3.2720 -.0020 0 0 3
3.1500 3.1518 -.0018 1 0 3
3.0000 2.9966 .0034 -2 2 2
2.9300 2.9268 .0032 -4 0 1
2.7500 2.7497 .0003 2 1 3
2.7000 2.6995 .0005 0 2 3
2.5700 2.5740 -.0040 4 2 0
2.5100 2.5091 .0009 3 3 0
2.4600 2.4609 -.0009 2 2 3
2.4100 2.4112 -.0012 -1 0 4
a= 12.22 b= 9.55 c= 9.82 beta= 90.6
da=.01 db=.01 dc=.01 dbeta=.1
V= 1146
Triklin
Dexp Dcal d(D) h k l
3.5700 3.5707 -.0007 0 1 1
3.5100 3.5098 .0002 0 -1 1
3.2700 3.2696 .0004 1 -1 1
3.1500 3.1496 .0004 1 -2 1
3.0000 2.9996 .0004 1 -3 1
2.9300 2.9284 .0016 2 2 1
2.7500 2.7488 .0012 2 -2 1
2.7000 2.7005 -.0005 2 9 0
2.5700 2.5701 -.0001 -3 -1 1
2.5100 2.5099 .0001 -3 -3 1
2.4600 2.4604 -.0004 3 0 1
2.4100 2.4101 -.0001 -2 6 1
A= 10.7404 DA= .00030
B= 25.948 DB= .003
C= 3.58313 DC= .00001
GAMMA= 80.18 DGAMMA= .01
BETA = 91.741 DBETA = .008
ALPHA= 86.77 DALPHA= .01
V=981
24. 21-1057
Rb2VF5
Triklin
Dexp Dcal d(D) h k l
3.7500 3.7458 .0042 0 2 0
3.5600 3.5595 .0005 0 2 1
3.5200 3.5177 .0023 2 0 2
3.4100 3.4114 -.0014 -1 1 2
3.3100 3.3101 -.0001 4 0 0
3.2800 3.2797 .0003 -3 -1 1
3.2400 3.2352 .0048 1 -1 2
3.2100 3.2096 .0004 -2 0 2
3.1200 3.1232 -.0032 1 -2 1
3.0800 3.0821 -.0021 3 0 2
3.0400 3.0402 -.0002 -2 1 2
2.9700 2.9692 .0008 -4 1 0
A= 13.345 DA= .001
B= 7.573 DB= .003
C= 7.8936 DC= .0004
GAMMA= 86.09 DGAMMA= .04
BETA = 83.53 DBETA = .01
ALPHA= 82.20 DALPHA= .01
V=785
25. 21-1175
Na0.33V2O5
Triklin
Dexp Dcal d(D) h k l
7.7000 7.7116 -.0116 0 0 1
7.4000 7.4062 -.0062 1 1 0
5.0500 5.0498 .0002 0 -2 1
4.3900 4.3957 -.0057 2 0 0
3.8600 3.8630 -.0030 1 2 1
3.6400 3.6379 .0021 -1 -3 1
3.5000 3.4965 .0035 0 -2 2
3.3800 3.3798 .0002 1 0 2
3.2200 3.2183 .0017 1 -3 1
3.1700 3.1705 -.0005 -2 -1 2
3.0700 3.0685 .0015 2 3 0
2.9310 2.9304 .0006 3 0 0
A= 8.948 DA= .004
B= 11.791 DB= .001
C= 7.918 DC= .002
GAMMA= 81.97 DGAMMA= .01
BETA = 98.50 DBETA = .01
ALPHA=101.04 DALPHA= .02
V= 805.6
26. 21-1196
Sr0.17V2O5
Triklin
Dexp Dcal d(D) h k l
7.6000 7.5976 .0024 -1 1 0
7.3800 7.3968 -.0168 1 1 0
4.8100 4.8084 .0016 -1 -1 1
3.9000 3.8997 .0003 0 -3 1
3.6700 3.6692 .0008 1 1 2
3.5100 3.5103 -.0003 -2 0 1
3.4100 3.4100 .0000 -1 -3 1
3.2300 3.2303 -.0003 -2 2 1
3.1800 3.1805 -.0005 2 0 2
3.0800 3.0802 -.0002 -2 -2 1
2.9310 2.9308 .0002 3 0 0
2.7380 2.7380 .0000 2 4 0
A= 8.9646 DA= .0006
B= 14.3816 DB= .0003
C= 7.6926 DC= .0007
GAMMA= 90.883 DGAMMA= .003
BETA = 78.889 DBETA = .004
ALPHA= 85.812 DALPHA= .004
V=971.1
27. 21-1432
V2O5*H2O
Rombik
Grupa 50
Dexp. Dcal. d(D) h k l
4.7700 4.7685 -.0015 4 0 0
4.3800 4.3845 .0045 1 1 1
4.0800 4.0735 -.0065 2 1 1
3.3700 3.3687 -.0013 5 0 1
2.8700 2.8677 -.0023 4 0 2
2.7500 2.7501 .0001 3 1 2
2.6100 2.6141 .0041 5 0 2
2.1900 2.1923 .0022 2 2 2
1.9190 1.9191 .0001 1 3 0
1.7850 1.7868 .0018 1 0 4
1.6550 1.6550 .0000 3 1 4
1.5300 1.5301 .0001 9 1 3
1.5060 1.5060 -.0000 2 2 4
a= 19.074 b=5.786 c=7.179 c=5.787
da=.003 db=.004 dc=.004
V= 792.3
Triklin
Dexp. Dcal. d(D) h k l
4.7700 4.7700 .0000 0 -2 0
4.3800 4.3800 .0000 -2 -2 0
4.0800 4.0785 .0015 0 0 1
3.3700 3.3700 .0000 -3 -2 0
2.8700 2.8690 .0010 1 -2 1
2.7500 2.7502 -.0002 3 -1 0
2.6100 2.6125 -.0025 -4 -1 0
2.1900 2.1900 .0000 -4 -4 0
1.9190 1.9191 -.0001 3 -3 0
1.7850 1.7851 -.0001 -2 0 2
1.6550 1.6552 -.0002 -3 -1 2
1.5300 1.5303 -.0003 -6 -2 1
1.5060 1.5059 .0001 2 -5 1
A= 10.705 DA= .001
B= 10.4009 DB= .0001
C= 4.130 DC= .001
GAMMA= 66.571 DGAMMA= .002
BETA = 81.056 DBETA = .04
ALPHA= 87.78 DALPHA= .01
V= 416.7
28. 21-1436
VO{H2PO4}2
Tetragon
Groupa 114
Dexp. Dcal. d(D) h k l
6.3600 6.3314 .0286 1 1 0
4.0000 4.0043 -.0043 2 1 0
3.5900 3.5908 -.0008 2 0 1
3.1700 3.1657 .0043 2 2 0
2.8500 2.8499 .0001 1 0 2
2.1100 2.1105 -.0005 3 3 0
a= 8.954 c= 6.01
da= .004 dc= .01
V= 482.0
29. 21-1962
C60H40N6P2S6V
Triklin
Dexp Dcal d(D) h k l
9.1000 9.1041 -.0041 0 1 1
8.2700 8.2633 .0067 -1 -1 1
7.6700 7.6506 .0194 0 -1 1
7.3300 7.3315 -.0015 1 0 1
7.1000 7.0763 .0237 -1 1 1
6.7400 6.7366 .0034 1 2 0
6.2200 6.2285 -.0085 0 2 0
5.8700 5.8705 -.0005 1 2 1
5.6400 5.6447 -.0047 -1 0 2
5.4300 5.4275 .0025 0 1 2
5.1300 5.1311 -.0011 -1 1 2
4.8100 4.8111 -.0011 -2 1 0
A= 13.729 DA= .002
B= 13.610 DB= .005
C= 11.5332 DC= .0008
GAMMA= 68.34 DGAMMA= .02
BETA =102.486 DBETA = .003
ALPHA= 85.559 DALPHA= .005
V-1925