1. 12-0519
BaCu3{VO4}2{OH}2
Triklin
Dexp Dcal d(D) h k l
6.9700 6.9642 .0058 1 0 0
4.9600 4.9579 .0021 0 1 1
4.5900 4.5850 .0050 0 -1 1
3.4700 3.4676 .0024 -2 0 1
3.2100 3.2101 -.0001 -1 1 3
2.9700 2.9710 -.0010 -1 0 4
2.7200 2.7197 .0003 1 -1 3
2.5600 2.5606 -.0006 2 1 2
2.4700 2.4706 -.0006 0 -2 1
2.2900 2.2896 .0004 1 2 2
1.9200 1.9200 -.0000 3 -1 2
1.7400 1.7399 .0001 1 -1 6
A= 7.0227 DA= .0003
B= 5.19035 DB= .00005
C= 12.5627 DC= .0001
GAMMA= 91.634 DGAMMA= .001
BETA = 97.363 DBETA = .003
ALPHA= 83.539 DALPHA= .002
V= 451.2
2. 12-522
Cu5{VO4}2{OH}4*H2O
Moniklin
Grupa 3
Dexp Dcal d(D) h k l
7.2500 7.2202 .0298 0 1 0
4.7600 4.7570 .0030 1 0 2
3.4500 3.4501 -.0001 0 2 1
2.8800 2.8795 .0005 3 1 1
2.7000 2.7008 -.0008 1 0 4
2.5600 2.5597 .0003 4 0 0
2.4700 2.4705 -.0005 -2 2 3
2.3700 2.3692 .0008 3 2 1
2.2900 2.2933 -.0033 4 1 1
2.1100 2.1102 -.0002 1 1 5
1.9700 1.9701 -.0001 5 1 0
1.9100 1.9102 -.0002 3 3 1
a= 10.38 b= 7.220 c= 11.883 beta= 99.5
da=.08 db=.003 dc=.002 dbeta=.2
V= 879
Triklin
Dexp Dcal d(D) h k l
7.2500 7.2455 .0045 1 0 0
4.7600 4.7621 -.0021 0 1 1
3.4500 3.4510 -.0010 -2 -1 1
2.8800 2.8785 .0015 2 1 1
2.7000 2.7001 -.0001 0 1 2
2.5600 2.5611 -.0011 -1 -1 2
2.4700 2.4700 .0000 -3 0 1
2.3700 2.3700 .0000 -3 -2 1
2.2900 2.2892 .0008 1 -2 1
2.1100 2.1094 .0006 -3 0 2
1.9700 1.9698 .0002 -3 -2 2
1.9100 1.9103 -.0003 1 4 0
A= 7.960 DA= .001
B= 7.728 DB= .001
C= 5.6485 DC= .0002
GAMMA= 71.08 DGAMMA= .01
BETA =103.03 DBETA = .01
ALPHA= 84.500 DALPHA= .005
V= 314.8
3. 12-0523
Cu3{VO4}2*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.2600 7.2602 -.0002 2 0 1
5.2100 5.2128 -.0028 0 1 0
4.1900 4.1974 -.0074 2 1 0
4.0300 4.0313 -.0013 3 0 3
3.5600 3.5592 .0008 0 1 3
3.0800 3.0807 -.0007 1 1 4
2.9800 2.9805 -.0005 -3 0 3
2.8700 2.8718 -.0018 -4 0 2
2.7100 2.7094 .0006 -1 0 5
2.6400 2.6388 .0012 -5 0 1
2.5600 2.5633 -.0033 1 2 0
2.3800 2.3797 .0003 -1 2 2
a= 14.8 b= 5.213 c= 15.3 beta= 72.9
da=.1 db=.001 dc= 1.651516E-01 dbeta=
V= 1128
Triklin
Dexp Dcal d(D) h k l
7.2600 7.2700 -.0100 -1 0 1
5.2100 5.2007 .0093 0 1 1
4.1900 4.1929 -.0029 0 -1 1
4.0300 4.0220 .0080 0 1 2
3.5600 3.5604 -.0004 -2 1 2
3.0800 3.0804 -.0004 2 1 0
2.9800 2.9794 .0006 -2 1 3
2.8700 2.8710 -.0010 2 1 1
2.7100 2.7131 -.0031 -1 2 2
2.6400 2.6393 .0007 -1 2 0
2.5600 2.5587 .0013 -2 2 2
2.3800 2.3799 .0001 -2 2 3
A= 8.863 DA= .004
B= 5.624 DB= .001
C= 10.12 DC= .01
GAMMA=102.58 DGAMMA= .03
BETA =108.77 DBETA = .03
ALPHA= 72.71 DALPHA= .02
V= 451.4
4. 12-0677
K2V10O27
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.9600 4.9491 .0109 -1 1 1
3.7400 3.7420 -.0020 0 2 1
3.4300 3.4325 -.0025 2 2 0
3.2800 3.2764 .0036 0 1 2
2.9900 2.9884 .0016 -2 0 2
2.8400 2.8410 -.0010 1 3 0
2.5100 2.5109 -.0009 3 0 2
2.4700 2.4745 -.0045 -2 2 2
2.1700 2.1695 .0005 3 3 1
2.0800 2.0803 -.0003 4 1 2
2.0200 2.0208 -.0008 5 1 1
1.8800 1.8785 .0015 5 2 1
a= 10.923 b=8.827 c= 7.0582 beta=91.034
da=.003 db= .003 dc= .0004 dbeta=.006
V= 680.4
5. 12-0678
K2V8O21
Triklin
Dexp Dcal d(D) h k l
3.2800 3.2798 .0002 -2 1 1
3.1400 3.1405 -.0005 -3 1 0
2.8300 2.8314 -.0014 2 -1 1
2.3500 2.3495 .0005 -4 1 1
2.3400 2.3402 -.0002 1 0 2
2.2200 2.2200 .0000 2 0 2
2.0700 2.0702 -.0002 3 1 2
1.9400 1.9401 -.0001 -5 -1 1
1.8900 1.8899 .0001 -2 2 2
1.8000 1.7998 .0002 3 -1 2
1.7200 1.7201 -.0001 -5 2 1
1.6800 1.6800 .0000 3 3 0
A= 11.930 DA= .003
B= 5.5835 DB= .0002
C= 4.8792 DC= .0008
GAMMA= 87.16 DGAMMA= .01
BETA = 88.73 DBETA = .01
ALPHA= 77.44 DALPHA= .02
V= 316.8
6. 12-0679
K0.33V2O5
Triklin
Dexp Dcal d(D) h k l
9.4600 9.4819 -.0219 1 0 0
7.1800 7.1791 .0009 0 1 0
4.9800 4.9781 .0019 1 -1 2
4.7200 4.7203 -.0003 -1 -1 1
3.8200 3.8186 .0014 -1 2 0
3.5900 3.5896 .0004 0 2 0
3.4500 3.4494 .0006 2 1 0
3.3700 3.3704 -.0004 -1 1 2
3.2000 3.2000 .0000 1 1 2
3.0300 3.0305 -.0005 1 2 0
2.8900 2.8899 .0001 -2 -1 2
2.7100 2.7101 -.0001 3 -1 3
A= 10.44 DA= .01
B= 8.284 DB= .003
C= 10.43912 DC= .00004
GAMMA=113.89 DGAMMA= .04
BETA = 75.13 DBETA = .02
ALPHA=112.70 DALPHA= .03
V= 756.3
7. 13-248
LiV3O8
Triklin
Dexp Dcal d(D) h k l
6.3500 6.3434 .0066 3 0 0
5.7800 5.7876 -.0076 -2 1 0
3.8000 3.8061 -.0061 5 0 0
3.4300 3.4309 -.0009 0 2 0
3.2100 3.2087 .0013 -1 0 1
3.1500 3.1488 .0012 2 2 0
3.0500 3.0499 .0001 2 0 1
2.9700 2.9701 -.0001 -6 1 0
2.9000 2.9007 -.0007 0 -1 1
2.6000 2.5990 .0010 -7 1 0
2.2800 2.2800 -.0000 5 1 1
2.2000 2.2001 -.0001 -4 2 1
A= 19.096 DA= .005
B= 6.887 DB= .001
C= 3.24559 DC= .00009
GAMMA= 94.59 DGAMMA= .04
BETA = 91.38 DBETA = .03
ALPHA= 88.278 DALPHA= .002
V= 425.2
Triklin
Dexp Dcal d(D) h k l
6.3500 6.3598 -.0098 -1 0 1
5.7800 5.7815 -.0015 0 -1 1
3.8000 3.8019 -.0019 1 1 2
3.4300 3.4282 .0018 0 -2 1
3.2100 3.2100 -.0000 -2 1 2
3.1500 3.1491 .0009 1 0 3
3.0500 3.0494 .0006 0 -1 3
2.9700 2.9698 .0002 2 0 2
2.9000 2.8993 .0007 0 2 3
2.6000 2.6005 -.0005 0 3 1
2.2800 2.2802 -.0002 1 -1 4
2.2000 2.1999 .0001 3 0 2
A= 7.587 DA= .001
B= 7.9165 DB= .0006
C= 11.016 DC= .001
GAMMA= 99.23 DGAMMA= .03
BETA = 95.84 DBETA = .02
ALPHA= 78.807 DALPHA= .005
V= 639
8. 13-249
Li3VO4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.5000 5.4835 .0165 1 1 0
4.1400 4.1355 .0045 1 1 1
3.9000 3.9072 -.0072 -1 0 1
3.6600 3.6595 .0005 1 2 0
3.1600 3.1641 -.0041 1 2 1
2.7400 2.7417 -.0017 2 2 0
2.5400 2.5404 -.0004 1 1 2
2.2750 2.2748 .0002 3 1 1
2.3900 2.3900 .0000 3 0 0
1.8300 1.8297 .0003 2 4 0
1.5770 1.5772 -.0002 3 0 3
1.4140 1.4141 -.0001 5 1 0
1.3310 1.3309 .0001 2 0 4
a= 7.315 b= 8.511 c= 5.404 beta= 78.5
da=.001 db=.004 dc=.007 dbet= .1
V= 329.8
Triklin
Dexp Dcal d(D) h k l
5.5000 5.5003 -.0003 1 1 0
4.1400 4.1384 .0016 0 1 1
3.9000 3.9003 -.0003 0 -1 1
3.6600 3.6602 -.0002 1 -1 1
3.1600 3.1599 .0001 0 -2 1
2.7400 2.7396 .0004 2 2 1
2.5400 2.5396 .0004 0 -3 1
2.2750 2.2752 -.0002 -1 3 1
2.3900 2.3904 -.0004 1 4 0
1.8300 1.8301 -.0001 2 -2 2
1.5770 1.5770 .0000 -2 5 0
1.4140 1.4140 .0000 0 -5 2
1.3310 1.3310 .0000 -4 -1 1
A= 6.468 DA= .001
B= 10.022 DB= .002
C= 4.627 DC= .001
GAMMA= 81.47 DGAMMA= .02
BETA = 72.28 DBETA = .02
ALPHA= 83.10 DALPHA= .02
V= 281.6
9. 13-346
V2O4*2H2O
Triklin
Dexp Dcal d(D) h k l
6.4200 6.4228 -.0028 0 1 1
5.1200 5.1262 -.0062 0 -1 1
4.3400 4.3365 .0035 1 1 0
3.5600 3.5588 .0012 1 1 2
3.2000 3.1998 .0002 1 2 0
2.9300 2.9291 .0009 -1 0 2
2.6600 2.6636 -.0036 -1 -1 2
2.4600 2.4587 .0013 0 -1 3
2.4300 2.4291 .0009 -1 2 2
2.2600 2.2593 .0007 2 2 1
2.0100 2.0102 -.0002 2 2 3
1.9200 1.9200 -.0000 0 4 0
A= 4.989 DA= .004
B= 7.986 DB= .001
C= 8.802 DC= .004
GAMMA= 80.57 DGAMMA= .04
BETA = 78.02 DBETA = .05
ALPHA= 75.59 DALPHA= .03
V= 329.9
10. 13-347
LiVO3
Triklin
Dexp Dcal d(D) h k l
6.3500 6.3520 -.0020 -1 1 0
4.7600 4.7580 .0020 -1 1 1
4.2100 4.2096 .0004 -1 -1 1
3.3500 3.3477 .0023 2 0 1
3.1600 3.1603 -.0003 -1 3 0
3.0600 3.0616 -.0016 1 3 0
2.9700 2.9687 .0013 -2 2 1
2.8600 2.8595 .0005 2 2 1
2.7700 2.7698 .0002 -1 2 2
2.5000 2.5010 -.0010 -2 1 2
2.3250 2.3250 -.0000 2 -3 1
2.1050 2.1048 .0002 -2 -2 2
A= 7.868 DA= .001
B= 10.307 DB= .003
C= 6.484 DC= .001
GAMMA= 92.55 DGAMMA= .02
BETA = 90.45 DBETA = .04
ALPHA= 80.58 DALPHA= .01
V= 518.2
11. 13-0476
Al12V3O37*30H2O
Triklin
Dexp Dcal d(D) h k l
6.5500 6.5513 -.0013 0 1 1
5.8700 5.8643 .0057 0 -1 1
4.4250 4.4253 -.0003 -1 -1 1
3.9050 3.9033 .0017 0 2 0
2.9590 2.9583 .0007 -1 -2 2
2.7700 2.7699 .0001 -1 1 3
2.4990 2.4994 -.0004 -1 -2 3
2.3660 2.3661 -.0001 1 2 3
2.1320 2.1322 -.0002 -2 1 1
1.9260 1.9259 .0001 -2 0 4
1.7180 1.7179 .0001 0 -3 4
1.6270 1.6270 .0000 -3 -2 1
1.5520 1.5520 -.0000 -1 -4 4
A= 4.93587 DA= .00007
B= 8.13658 DB= .00009
C= 10.3588 DC= .0005
GAMMA= 74.9677 DGAMMA= .0009
BETA =100.726 DBETA = .007
ALPHA= 86.568 DALPHA= .005
V= 392.2
12. 14-0060
{Fe,Al}5{VO4,PO4}2{OH}9*3H2O
Triklin
Dexp Dcal d(D) h k l
5.1700 5.1697 .0003 -1 0 1
4.2000 4.2010 -.0010 1 0 1
3.2100 3.2101 -.0001 1 2 1
2.9450 2.9454 -.0004 -1 2 1
2.4410 2.4411 -.0001 2 2 0
2.1400 2.1401 -.0001 0 0 4
1.8870 1.8869 .0001 1 4 1
1.5690 1.5690 .0000 1 -4 1
1.5270 1.5270 .0000 2 0 4
1.3660 1.3660 .0000 -2 4 4
A= 5.6838 DA= .0004
B= 7.7153 DB= .0005
C= 8.909 DC= .002
GAMMA= 81.204 DGAMMA= .001
BETA =101.21 DBETA = .01
ALPHA= 80.48 DALPHA= .02
V= 370.97
13. 14-0111
CaV3O7
Triklin
Dexp Dcal d(D) h k l
5.2500 5.2499 .0001 0 0 1
3.4800 3.4800 -.0000 2 1 0
3.0000 3.0003 -.0003 0 -2 1
2.6300 2.6300 .0000 -2 -1 1
2.4800 2.4800 -.0000 2 3 0
1.9300 1.9299 .0001 -2 1 2
1.8400 1.8399 .0001 0 -4 1
1.7400 1.7400 .0000 4 2 0
1.7100 1.7098 .0002 3 -1 2
1.6500 1.6500 -.0000 -2 3 2
1.6200 1.6201 -.0001 4 1 2
A= 7.2344 DA= .0002
B= 9.0835 DB= .0006
C= 5.50086 DC= .00001
GAMMA= 74.99 DGAMMA= .01
BETA = 78.39 DBETA = .01
ALPHA= 74.63 DALPHA= .01
V= 333.21
14. 14-0139
{al,Fe}3{PO4VO4}2{OH]3*8H2O
geksag.
Grupa 143
Dexp. Dcal. d(D) h k l
4.0800 4.0778 .0022 1 0 1
3.5100 3.5104 -.0004 0 0 2
2.5060 2.5047 .0013 2 0 0
1.8200 1.8193 .0007 1 1 3
1.4460 1.4461 -.0001 2 2 0
a= 5.7844 c= 7.0207
da= .0004 dc= .0007
V= 234.9
15. 14-0144
K4V2P4O17
Triklin
Dexp Dcal d(D) h k l
5.4000 5.3998 .0002 0 0 1
3.9700 3.9716 -.0016 0 -2 1
3.2600 3.2602 -.0002 0 3 1
3.0400 3.0394 .0006 -1 2 0
2.7100 2.7108 -.0008 -1 3 0
2.6200 2.6205 -.0005 -1 -2 1
2.4100 2.4084 .0016 0 5 0
2.3500 2.3498 .0002 -1 0 2
2.1800 2.1797 .0003 0 -5 1
1.8800 1.8800 -.0000 1 -1 2
1.8000 1.7999 .0001 0 0 3
1.7200 1.7203 -.0003 0 7 0
A= 3.37760 DA= .00005
B= 12.165 DB= .003
C= 5.5443 DC= .0008
GAMMA= 98.021 DGAMMA= .009
BETA =103.041 DBETA = .003
ALPHA= 86.84 DALPHA= .01
V= 219.7
16. 14-0145
KV2PO8
Triklin
Dexp Dcal d(D) h k l
4.8300 4.8323 -.0023 1 0 0
4.5600 4.5585 .0015 -1 1 1
4.0600 4.0570 .0030 -1 -1 1
3.8600 3.8615 -.0015 0 -2 1
3.3900 3.3885 .0015 -1 -2 1
3.2400 3.2388 .0012 1 0 1
3.1000 3.0953 .0047 1 3 0
2.9100 2.9074 .0026 0 2 2
2.8100 2.8085 .0015 -1 -3 1
2.4900 2.4913 -.0013 -1 -2 2
2.3500 2.3518 -.0018 1 4 1
2.1800 2.1803 -.0003 -2 -1 2
A= 5.159 DA= .002
B= 12.576 DB= .002
C= 6.4428 DC= .0007
GAMMA= 95.366 DGAMMA= .003
BETA =110.49 DBETA = .01
ALPHA= 76.781 DALPHA= .005
V= 381.1
17. 14-0514
Li20*2V2O4*4V2O5
Triklin
Dexp Dcal d(D) h k l
8.5000 8.4960 .0040 1 0 0
5.1000 5.0959 .0041 -1 1 1
4.5000 4.4972 .0028 1 -1 1
4.4600 4.4535 .0065 0 -1 1
3.2500 3.2499 .0001 -2 1 2
3.1300 3.1318 -.0018 -2 0 2
3.0600 3.0588 .0012 -1 0 3
2.7900 2.7894 .0006 3 0 1
2.7000 2.7001 -.0001 -2 2 0
2.3700 2.3699 .0001 1 2 2
2.2400 2.2398 .0002 3 -2 1
2.0900 2.0901 -.0001 0 2 4
A= 8.908 DA= .002
B= 5.8500 DB= .0005
C= 10.3872 DC= .0009
GAMMA=106.84 DGAMMA= .01
BETA = 88.639 DBETA = .009
ALPHA= 79.017 DALPHA= .006
V= 506.8
18. 14-0531
K3V5PO24
Triklin
Dexp Dcal d(D) h k l
4.6600 4.6616 -.0016 1 0 0
3.1200 3.1207 -.0007 1 1 1
2.9600 2.9595 .0005 -1 -1 1
2.7900 2.7900 .0000 1 0 2
2.3500 2.3497 .0003 -1 0 2
2.0800 2.0803 -.0003 2 1 1
2.0000 1.9996 .0004 2 -1 2
1.8800 1.8798 .0002 2 -2 1
1.8000 1.7997 .0003 1 1 3
1.5300 1.5300 -.0000 2 -3 1
1.4900 1.4901 -.0001 3 -1 2
1.4300 1.4300 -.0000 1 -2 4
1.3400 1.3400 .0000 0 -4 2
1.3000 1.3001 -.0001 -1 1 4
A= 4.7564 DA= .0001
B= 5.6747 DB= .0008
C= 6.2309 DC= .0003
GAMMA= 94.081 DGAMMA= .007
BETA = 78.845 DBETA = .006
ALPHA= 97.90 DALPHA= .02
V= 163.26
19. 14-0532
K9V14P3O47
Triklin
Dexp Dcal d(D) h k l
5.0200 5.0212 -.0012 1 0 0
3.2300 3.2322 -.0022 0 1 1
2.9300 2.9298 .0002 0 -1 1
2.7300 2.7302 -.0002 1 0 2
2.5400 2.5407 -.0007 1 -1 1
2.3900 2.3890 .0010 2 1 0
2.0000 2.0006 -.0006 1 -1 2
1.8500 1.8499 .0001 3 1 1
1.7400 1.7402 -.0002 2 0 3
1.5700 1.5700 -.0000 3 1 3
1.5100 1.5100 .0000 2 2 3
1.4400 1.4398 .0002 2 -1 3
1.3900 1.3899 .0001 -2 1 2
1.1500 1.1500 -.0000 -4 -1 1
A= 5.648 DA= .001
B= 4.029 DB= .001
C= 5.6679 DC= .0007
GAMMA= 72.06 DGAMMA= .01
BETA = 66.677 DBETA = .004
ALPHA= 77.790 DALPHA= .008
V= 112.06
20. 14-0533
K21V2P7O33
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
3.1100 3.1077 .0023 0 1 0
2.8600 2.8599 .0001 1 1 1
2.6700 2.6709 -.0009 0 0 4
1.9500 1.9502 -.0002 4 1 0
1.6500 1.6498 .0002 6 0 1
1.4600 1.4600 .0000 2 0 7
1.4100 1.4100 -.0000 1 2 3
1.3000 1.3000 -.0000 7 1 0
a=10.0191 b= 3.1077 c=10.683
da= .0001 db= .0001 dc= .003
V= 332.65
21. 14-0571
2.6Li20*V2O4*4.8V2O5
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.2500 6.2413 .0087 1 1 0
3.1800 3.1792 .0008 1 1 2
3.1200 3.1207 -.0007 2 2 0
3.0200 3.0199 .0001 3 0 0
2.8700 2.8702 -.0002 0 3 0
2.1800 2.1801 -.0001 -1 0 3
2.1300 2.1301 -.0001 2 1 3
2.1100 2.1099 .0001 -1 3 2
1.6600 1.6600 .0000 4 3 2
1.5000 1.4995 .0005 -5 1 2
a= 9.151 b= 8.611 c=7.0472 beta= 81.909
da=.003 db=.002 dc=.0008 dbeta= .009
V= 549.7