1. 29-0335
Ca9{Mg,Fe}3{Si,Al}2{O,OH}36*7H2O
Triklin
Dexp Dcal d(D) h k l
3.9202 3.9175 .0027 3 0 0
3.5803 3.5794 .0008 -3 2 0
3.4003 3.4006 -.0003 -1 3 0
3.2703 3.2689 .0014 0 3 0
2.9802 2.9812 -.0010 1 0 1
2.9002 2.8969 .0033 -4 2 0
2.7702 2.7712 -.0010 0 -1 1
2.6602 2.6610 -.0008 -1 2 1
2.5201 2.5193 .0009 3 0 1
2.3302 2.3304 -.0002 -3 1 1
2.3302 2.3304 -.0002 -3 1 1
2.2702 2.2695 .0006 -2 3 1
A= 12.270 DA= .002
B= 10.245 DB= .001
C= 3.02395 DC= .00004
GAMMA=105.42 DGAMMA= .01
BETA = 85.17094 DBETA = .00000
ALPHA= 84.745 DALPHA= .005
V=362.8
2. 29-1235
Na0.5{Mg,Fe,Al}3{Si,Al}4O10{OH}2
Rombik
Groupa 39,67
Dexp. Dcal. d(D) h k l
14.9013 14.8938 .0075 1 0 0
7.4507 7.4469 .0038 2 0 0
4.9603 4.9646 -.0044 3 0 0
3.7203 3.7235 -.0032 4 0 0
2.9802 2.9802 .0000 0 0 2
2.4802 2.4823 -.0021 6 0 0
2.1271 2.1271 .0000 1 2 0
1.8601 1.8614 -.0012 4 2 0
1.6561 1.6549 .0012 9 0 0
1.4901 1.4901 .0000 0 0 4
a=14.89 b= 4.298 c= 5.96034
da= .01 db= .002 dc= .00001
v= 381.6
3. 30-0321
CsCe{CN}6}
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
4.7704 4.7612 .0092 1 1 0
3.8103 3.8161 -.0058 0 3 0
2.7202 2.7273 -.0071 1 2 1
2.2902 2.2896 .0005 0 5 0
2.1602 2.1587 .0015 2 3 0
1.9271 1.9254 .0017 0 0 2
1.7841 1.7850 -.0009 1 1 2
1.7251 1.7252 -.0001 3 1 0
a= 5.2354 b=11.448 c= 3.851
da= .0004 db= .004 dc= .002
v= 230.8
4. 30-0322
CsCe{Fe{CN}6}*H2O
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
3.8103 3.8154 -.0051 2 1 0
2.6802 2.6863 -.0062 2 2 0
2.4102 2.4149 -.0048 1 2 1
2.2802 2.2798 .0003 3 1 1
2.1301 2.1273 .0029 1 3 0
1.8931 1.8927 .0004 1 0 2
1.7621 1.7623 -.0002 2 3 1
1.7111 1.7106 .0005 4 2 1
a= 9.386 b= 6.552 c= 3.865
da= .009 db= .002 dc= .001
V= 237.7
5. 30-0348
CsLa{Fe{Cn}6}
Rombik
Groupa 30,53
romb.
Dexp. Dcal. d(D) h k l
4.8304 4.8304 -.0000 1 0 0
3.8503 3.8419 .0084 1 1 0
2.7102 2.7145 -.0043 1 1 1
2.1801 2.1801 .0000 1 2 1
1.9211 1.9209 .0002 2 2 0
1.7161 1.7160 .0001 1 1 2
a= 4.830 b= 6.338 c= 3.836
da= .001 db= .001 dc= .001
V= 117.44
6. 30-0482
CuFe{CN}5NO
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
5.4405 5.4540 -.0135 0 0 1
5.0104 5.0119 -.0015 0 1 0
3.6942 3.6975 -.0033 1 0 1
3.5453 3.5503 -.0050 1 1 0
2.7262 2.7270 -.0008 0 0 2
2.5162 2.5149 .0012 2 0 0
2.3981 2.3973 .0008 1 0 2
2.2832 2.2838 -.0007 2 0 1
2.2431 2.2430 .0002 1 2 0
2.0781 2.0782 -.0001 2 1 1
a= 5.0299 b= 5.012 c= 5.454
da= .0002 db= .001 dc= .002
V= 137.5
7. 30-0483
CuFe{CN}5NO
Rombik
Groupa 32,55
Dexp. Dcal. d(D) h k l
5.1803 5.1826 -.0022 0 2 0
4.5203 4.5226 -.0023 1 1 0
3.6103 3.6081 .0022 1 2 0
3.5002 3.4997 .0005 0 2 1
2.8472 2.8472 -.0001 1 3 0
2.5932 2.5913 .0019 0 4 0
2.5132 2.5131 .0000 2 0 0
2.2632 2.2613 .0019 2 2 0
2.2202 2.2209 -.0007 2 0 1
2.1721 2.1716 .0006 2 1 1
1.8031 1.8040 -.0009 2 4 0
a= 5.0262 b=10.365 c= 4.7451
da= .0008 db= .001 dc= .0006
V= 247.2
8. 30-0484
CuFe{CN}5NO
Triklin
Dexp Dcal d(D) h k l
5.4504 5.4497 .0007 1 0 0
5.1803 5.1855 -.0052 1 1 0
5.0203 5.0188 .0015 -1 0 1
4.5203 4.5143 .0060 0 1 1
3.7003 3.6983 .0020 1 0 1
3.5603 3.5617 -.0015 1 1 1
2.8432 2.8435 -.0002 0 2 1
2.7352 2.7349 .0003 -2 -2 1
2.5932 2.5927 .0004 2 2 0
2.5152 2.5155 -.0003 1 0 2
2.2891 2.2891 .0000 2 0 1
2.2452 2.2451 .0001 1 -1 2
2.1771 2.1772 -.0001 -2 -3 1
A= 6.221 DA= .001
B= 7.012 DB= .005
C= 7.066 DC= .004
GAMMA= 66.76 DGAMMA= .04
BETA =110.03 DBETA = .03
ALPHA=100.12 DALPHA= .01
V= 265.8
9. 30-0647
C12Fe3O12
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
6.9108 6.8573 .0535 0 1 0
5.7103 5.7390 -.0287 0 0 1
4.2704 4.2618 .0086 1 0 1
2.8702 2.8695 .0007 0 0 2
2.7802 2.7826 -.0024 2 0 1
2.6702 2.6714 -.0013 1 2 1
2.5802 2.5784 .0018 2 1 1
a= 6.363 b= 6.857 c= 5.74
da= .009 db= .004 dc= .01
V= 250.4
10. 30-0649
Er4Fe3{CN}18*16H2O
rombik
Groupa 19
Dexp. Dcal. d(D) h k l
5.7503 5.7602 -.0099 0 0 2
5.0703 5.0717 -.0014 0 1 1
4.6203 4.6528 -.0325 3 0 1
3.6303 3.6212 .0091 4 0 1
3.1802 3.1757 .0045 0 1 3
2.7502 2.7430 .0072 0 2 1
2.5802 2.5812 -.0011 2 2 1
2.4702 2.4691 .0011 3 2 0
2.2302 2.2270 .0032 4 2 1
2.1301 2.1290 .0012 4 1 4
2.0901 2.0945 -.0044 5 0 4
2.0402 2.0400 .0001 5 2 1
a=15.258 b= 5.648 c=11.520
da= .006 db= .003 dc= .003
v= 993
Triklin
Dexp Dcal d(D) h k l
5.7503 5.7486 .0017 -1 1 0
5.0703 5.0631 .0071 0 1 1
4.6203 4.6161 .0042 0 -1 1
3.6303 3.6295 .0009 -1 0 2
3.1802 3.1814 -.0012 1 -1 2
2.7502 2.7509 -.0007 -1 2 2
2.5802 2.5808 -.0006 2 -1 2
2.4702 2.4706 -.0004 2 1 0
2.2302 2.2286 .0016 -1 -2 1
2.1301 2.1302 -.0000 2 1 2
2.0901 2.0901 .0000 2 -1 3
2.0402 2.0413 -.0011 0 1 4
A= 7.2985 DA= .0001
B= 6.5474 DB= .0008
C= 8.481 DC= .002
GAMMA=115.23 DGAMMA= .03
BETA = 95.995 DBETA = .004
ALPHA= 82.385 DALPHA= .004
V= 362.91
11. 30-0656
Fe3Nd4{CN}18*10H2O
Triklin
Dexp Dcal d(D) h k l
5.8205 5.8165 .0040 0 1 1
5.1805 5.1802 .0003 0 -1 1
4.6704 4.6631 .0073 -1 0 1
4.2103 4.2087 .0016 -1 1 0
3.7803 3.7802 .0001 1 2 0
3.6503 3.6481 .0022 0 -2 1
3.2902 3.2984 -.0082 0 1 2
3.0502 3.0523 -.0021 0 -1 2
2.8902 2.8886 .0016 1 3 0
2.6262 2.6266 -.0004 -1 -2 2
2.5392 2.5376 .0016 1 0 2
2.3462 2.3476 -.0015 0 4 0
A= 5.326 DA= .003
B= 9.554 DB= .003
C= 6.972 DC= .001
GAMMA= 82.01 DGAMMA= .03
BETA =103.42 DBETA = .03
ALPHA= 85.128 DALPHA= .002
V= 339.19
12. 30-0817
MnFe{CN}5NO
Triklin
Dexp Dcal d(D) h k l
8.4807 8.5104 -.0297 1 0 0
7.0704 7.0685 .0019 0 1 1
5.2903 5.2916 -.0013 0 -1 1
5.1404 5.1373 .0030 0 0 2
4.9403 4.9404 -.0001 -1 -1 1
4.9709 4.9640 .0069 0 1 2
4.3103 4.3109 -.0006 -1 1 2
4.1303 4.1304 -.0001 -2 0 1
3.7703 3.7712 -.0009 2 1 1
3.6903 3.6869 .0033 0 2 0
2.8332 2.8329 .0003 -3 0 1
A= 8.673 DA= .001
B= 7.801 DB= .001
C= 10.802 DC= .002
GAMMA= 81.91 DGAMMA= .01
BETA = 94.99 DBETA = .01
ALPHA= 73.682 DALPHA= .002
V= 688.2
13. 30-0899
K2{Al,Fe}5H7{PO4}8*14H2O
Triklin
Dexp Dcal d(D) h k l
14.4000 14.4180 -.0179 1 0 0
7.4705 7.4660 .0045 1 1 0
6.9706 6.9786 -.0080 -1 1 0
6.5607 6.5547 .0060 0 -1 1
6.1504 6.1513 -.0009 1 0 1
5.6004 5.5950 .0054 -2 0 1
4.3502 4.3427 .0076 -3 0 1
4.3103 4.3101 .0003 3 1 0
4.1602 4.1628 -.0026 0 2 0
3.6902 3.6898 .0005 -1 0 2
3.4202 3.4232 -.0029 1 0 2
3.1603 3.1615 -.0012 -3 0 2
A= 14.728 DA= .001
B= 8.8012 DB= .0009
C= 7.815 DC= .003
GAMMA= 82.404 DGAMMA= .005
BETA =100.9206 DBETA = .0009
ALPHA=108.413 DALPHA= .008
V= 940.9
14. 30-0900
K*Al*Fe*PO4
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
4.4203 4.4274 -.0071 0 0 1
4.1602 4.1681 -.0079 2 0 0
3.9003 3.9102 -.0099 1 0 1
3.6203 3.6178 .0025 0 1 1
3.0402 3.0348 .0053 2 0 1
2.5602 2.5601 .0001 0 2 1
2.0802 2.0803 -.0002 3 2 0
a= 8.34 b= 6.276 c= 4.427
da= .01 db= .009 dc= .007
V= 231.6
15. 30-1197
Na3FeO3
Triklin
Dexp Dcal d(D) h k l
8.0205 8.0382 -.0177 0 0 1
5.5903 5.5940 -.0037 -1 -1 1
5.3303 5.3300 .0003 0 -2 1
5.1503 5.1528 -.0024 1 1 0
4.4803 4.4655 .0148 -1 -2 1
3.9702 3.9715 -.0013 1 2 0
3.8302 3.8391 -.0089 -1 -2 2
3.6703 3.6680 .0023 1 1 1
3.4103 3.4150 -.0047 -1 -3 1
3.2303 3.2291 .0011 -1 -3 2
3.0802 3.0782 .0020 -2 0 1
2.9452 2.9454 -.0002 1 -3 1
A= 6.215 DA= .005
B= 11.430 DB= .005
C= 9.047 DC= .005
GAMMA= 82.58 DGAMMA= .05
BETA =110.04 DBETA = .03
ALPHA=110.32 DALPHA= .03
V= 566.2
16. 30-1198
Na5FeO4
Triklin
Dexp Dcal d(D) h k l
8.3404 8.3383 .0021 0 1 1
6.8506 6.8505 .0000 1 1 0
5.5303 5.5289 .0013 0 -1 1
5.1503 5.1532 -.0028 -1 -1 1
4.9604 4.9548 .0056 0 2 1
4.8203 4.8159 .0043 -2 1 1
4.4803 4.4862 -.0059 2 1 0
4.1303 4.1317 -.0014 2 0 1
3.9002 3.9120 -.0118 1 0 2
3.6203 3.6257 -.0055 1 2 2
3.3803 3.3774 .0028 2 2 1
3.2703 3.2687 .0015 -1 2 3
A= 10.578 DA= .004
B= 10.022 DB= .001
C= 10.318 DC= .001
GAMMA= 95.39 DGAMMA= .05
BETA =103.53 DBETA = .02
ALPHA= 66.51 DALPHA= .01
V=975.6
17. 30-1199
Na31Fe8O29
Triklin
Dexp Dcal d(D) h k l
8.3404 8.4656 -.1251 1 0 0
6.6302 6.6235 .0067 0 1 1
5.7905 5.8051 -.0146 0 -1 1
5.5204 5.5151 .0052 -1 1 1
5.2805 5.2750 .0054 -1 1 0
4.8503 4.8457 .0047 -1 0 2
4.4202 4.4273 -.0071 -1 -2 1
4.1903 4.1838 .0064 -2 -1 2
3.8802 3.8853 -.0051 2 2 0
3.7502 3.7565 -.0062 -2 1 1
3.6303 3.6271 .0032 -1 2 1
3.4902 3.4896 .0006 -2 1 2
A= 10.3547 DA= .0004
B= 9.724 DB= .004
C= 9.710 DC= .002
GAMMA= 69.323 DGAMMA= .004
BETA =118.37 DBETA = .02
ALPHA= 93.42 DALPHA= .02
V= 797.9
18 31-0053
{NH4}Fe3P6O20*10H2O
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
8.3309 8.3811 -.0502 2 0 0
7.8507 7.8916 -.0409 0 0 1
7.1003 7.1399 -.0395 1 0 1
5.7304 5.7455 -.0150 2 0 1
4.5402 4.5399 .0004 0 1 0
4.1903 4.1906 -.0002 4 0 0
3.9903 3.9918 -.0015 2 1 0
3.9403 3.9352 .0052 0 1 1
3.7003 3.7011 -.0008 4 0 1
3.5602 3.5621 -.0018 2 1 1
3.2102 3.2173 -.0071 3 1 1
3.0802 3.0793 .0009 4 1 0
a=16.762 b= 4.5398 c= 7.89
da= .006 db= .0005 dc= .01
V= 600.5
Triklin
Dexp Dcal d(D) h k l
8.3309 8.3167 .0142 0 1 0
7.8507 7.8295 .0211 -1 1 0
7.1003 7.1076 -.0073 0 0 1
5.7304 5.7384 -.0080 1 0 1
4.5402 4.5472 -.0069 1 -2 1
4.1903 4.1777 .0126 2 0 0
3.9903 3.9953 -.0050 2 -2 1
3.9403 3.9301 .0102 1 1 1
3.7003 3.6988 .0015 1 -1 2
3.5602 3.5637 -.0035 0 -1 2
3.2102 3.2093 .0009 1 2 0
3.0802 3.0776 .0026 3 -2 1
A= 9.538 DA= .001
B= 9.6721 DB= .0008
C= 7.4967 DC= .0001
GAMMA=118.186 DGAMMA= .006
BETA = 76.4043 DBETA = .0006
ALPHA=107.446 DALPHA= .009
V=578.0
19.. 31-0054
{NH4}FeP2O7*1.5H2O
Triklin
Dexp Dcal d(D) h k l
8.2809 8.2627 .0182 1 0 0
7.7105 7.6906 .0199 1 1 0
6.5405 6.5680 -.0275 -1 0 1
5.6804 5.6811 -.0007 0 -1 1
5.0603 5.0582 .0021 1 1 1
4.5704 4.5721 -.0018 0 2 1
4.3303 4.3239 .0064 2 1 0
4.1703 4.1811 -.0108 -2 -1 1
4.0203 4.0221 -.0018 1 -1 1
3.9403 3.9574 -.0171 0 -2 1
3.7602 3.7518 .0084 0 1 2
3.5702 3.5660 .0043 -2 1 1
A= 8.961 DA= .002
B= 10.754 DB= .003
C= 7.92 DC= .02
GAMMA= 73.66 DGAMMA= .06
BETA =104.10 DBETA = .03
ALPHA= 85.67 DALPHA= .01
V= 701.8
20. 31-0227
Cd1.9H0.2Fe{CN}6*9H2O
Triklin
Dexp Dcal d(D) h k l
7.5204 7.5238 -.0034 0 0 1
6.9607 6.9586 .0021 1 0 0
6.4705 6.4521 .0184 0 -2 1
6.4002 6.3877 .0126 -1 2 0
6.2602 6.2772 -.0169 1 2 0
5.6803 5.6832 -.0028 1 3 0
5.6305 5.6396 -.0092 1 1 1
5.5003 5.4990 .0013 1 -1 1
5.2104 5.2023 .0081 -1 4 0
5.0505 5.0424 .0081 0 5 1
4.8104 4.8067 .0037 1 -3 1
4.6904 4.6906 -.0001 -1 0 1
A= 7.083 DA= .001
B= 30.745 DB= .002
C= 7.7109 DC= .0002
GAMMA= 90.064 DGAMMA= .002
BETA = 79.322 DBETA = .001
ALPHA= 83.329 DALPHA= .005
V=1637.9
21. 31-0231
Cd2Fe{CN}6*1.5H2O
Triklin
Dexp Dcal d(D) h k l
10.0003 10.0170 -.0167 0 1 1
9.4612 9.4228 .0384 1 0 1
8.3802 8.3596 .0207 0 -1 1
7.8607 7.8565 .0042 1 -1 1
6.7607 6.7544 .0062 -1 0 1
6.6804 6.6646 .0158 -1 1 1
6.4206 6.4418 -.0212 0 2 1
6.2005 6.1965 .0040 1 0 2
5.6004 5.5894 .0110 1 -2 1
5.4303 5.4237 .0066 1 2 1
5.3105 5.3002 .0103 2 0 1
5.1904 5.2013 -.0109 1 2 0
A= 10.7371 DA= .0009
B= 13.912 DB= .003
C= 13.036 DC= .002
GAMMA= 97.62 DGAMMA= .04
BETA = 72.28 DBETA = .02
ALPHA= 82.56 DALPHA= .01
V=1806.9
22. 31-0232
Cd2Fe{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
9.4612 9.4509 .0103 2 0 0
8.3409 8.3052 .0357 -1 1 0
7.9608 7.9733 -.0126 1 1 0
6.7006 6.6997 .0009 -2 1 0
6.2903 6.3006 -.0103 3 0 0
5.9603 5.9569 .0033 2 0 1
5.7903 5.8107 -.0205 0 -1 1
5.6605 5.6706 -.0102 -2 0 1
5.6004 5.5989 .0015 0 1 1
5.3004 5.2957 .0047 -3 1 0
5.0303 5.0409 -.0106 3 1 0
4.9204 4.9120 .0084 3 0 1
A= 18.954 DA= .001
B= 9.0311 DB= .0009
C= 7.379 DC= .004
GAMMA= 93.130 DGAMMA= .003
BETA = 86.98 DBETA = .01
ALPHA= 92.34 DALPHA= .01
V=1257.7
23. 31-0461
Cu{Fe{Cn}5NO}
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
5.4004 5.3942 .0062 -1 1 1
4.9804 4.9823 -.0019 0 1 2
4.1003 4.0909 .0094 2 0 0
3.6703 3.6641 .0062 2 0 1
3.5303 3.5312 -.0009 0 2 1
3.5102 3.5057 .0045 -2 1 2
2.8502 2.8471 .0031 0 2 3
2.7942 2.7948 -.0006 -3 0 2
2.7212 2.7226 -.0014 0 0 5
2.5882 2.5882 .0000 2 2 1
2.5012 2.5023 -.0011 -3 1 3
2.3902 2.3918 -.0016 2 2 2
2.2691 2.2688 .0003 0 0 6
2.2321 2.2325 -.0004 -3 2 1
a= 8.472960 b= 7.313 c= 14.0976 beta= 105.06
da=.01 db=.004 dc=.0009 dbet=.05
V= 843.5
24. 31-0621
FeH2P3O10
Triklin
Dexp Dcal d(D) h k l
6.4206 6.4334 -.0129 0 0 1
5.8703 5.8603 .0101 1 0 0
4.6704 4.6746 -.0043 0 -2 1
4.2704 4.2709 -.0005 -1 1 1
4.0503 4.0488 .0015 1 2 0
3.5603 3.5603 .0000 0 3 0
3.2502 3.2499 .0003 -1 0 2
3.0902 3.0893 .0009 0 -2 2
2.9302 2.9301 .0001 2 0 0
2.8302 2.8307 -.0006 -2 -2 1
2.7202 2.7201 .0000 0 -3 2
2.5502 2.5504 -.0002 1 -1 2
2.5102 2.5101 .0001 -2 -3 1
A= 6.1786 DA= .0006
B= 11.067 DB= .001
C= 6.9633 DC= .0006
GAMMA= 82.751 DGAMMA= .002
BETA =108.268 DBETA = .002
ALPHA=104.925 DALPHA= .009
V= 436.4
25. 31-0622
FeH2P3O10*2H2O
Triklin
Dexp Dcal d(D) h k l
7.9608 7.9552 .0055 0 1 0
5.9603 5.9604 -.0002 0 -1 2
4.9504 4.9475 .0029 -1 -1 1
4.6404 4.6361 .0043 1 0 2
4.5703 4.5725 -.0022 1 -1 1
4.2504 4.2458 .0046 -1 -1 2
3.9502 3.9496 .0006 -1 1 1
3.8503 3.8527 -.0024 1 1 2
3.5303 3.5315 -.0012 0 2 1
3.3902 3.3823 .0078 0 -1 4
3.1102 3.1072 .0030 -1 2 0
2.8502 2.8498 .0004 -1 2 1
A= 6.0256 DA= .0003
B= 8.370 DB= .001
C= 13.665 DC= .001
GAMMA= 83.09 DGAMMA= .01
BETA = 86.44 DBETA = .01
ALPHA=106.17 DALPHA= .07
V= 653.8
26. 31-0623
FeH6P3O9*H2O
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
7.1003 7.1015 -.0012 1 1 0
4.9003 4.8989 .0014 -1 0 2
3.5003 3.5027 -.0024 2 0 2
3.0002 3.0011 -.0009 3 1 1
2.4702 2.4708 -.0006 0 4 0
2.3302 2.3301 .0001 1 4 1
2.2301 2.2306 -.0005 1 2 4
2.1101 2.1113 -.0011 3 2 3
2.0301 2.0314 -.0013 -3 3 3
1.9401 1.9406 -.0005 1 5 0
1.7601 1.7604 -.0002 -2 5 2
1.7101 1.7093 .0008 3 5 0
a= 10.262 b= 9.883 c= 10.628 beta= 95.71
da=.003 db=.002 dc=.002 dbet= .02
V= 1072.6
Triklin
Dexp Dcal d(D) h k l
7.1003 7.1015 -.0012 1 1 0
4.9003 4.9005 -.0002 -1 1 0
3.5003 3.5000 .0003 -2 0 1
3.0002 3.0000 .0002 -2 -2 1
2.4702 2.4700 .0002 -1 -3 1
2.3302 2.3285 .0017 3 0 2
2.2301 2.2301 .0000 -3 1 1
2.1101 2.1098 .0003 0 2 3
2.0301 2.0289 .0013 4 1 2
1.9401 1.9386 .0015 -3 1 2
1.7601 1.7604 -.0003 0 4 2
1.7101 1.7103 -.0001 2 2 4
A= 9.15 DA= .01
B= 8.327 DB= .001
C= 7.254 DC= .008
GAMMA= 68.46 DGAMMA= .01
BETA = 82.25 DBETA = .08
ALPHA= 82.80 DALPHA= .04
V= 507.4
27. 31-0624
FeH3P2O6*3H2O
Triklin
Dexp Dcal d(D) h k l
8.3006 8.3137 -.0131 1 0 0
5.2005 5.1985 .0019 0 1 1
3.8003 3.8001 .0003 -2 -1 1
3.5003 3.5017 -.0014 0 2 0
3.0002 3.0009 -.0007 0 0 2
2.8602 2.8596 .0005 -3 0 1
2.7602 2.7565 .0037 0 -2 1
2.7202 2.7182 .0019 1 1 2
2.6402 2.6393 .0009 -2 1 2
2.5502 2.5503 -.0001 -3 -2 1
2.4602 2.4612 -.0010 2 -1 1
2.2402 2.2404 -.0003 -2 -2 2
A= 9.137 DA= .003
B= 7.560 DB= .005
C= 6.352 DC= .001
GAMMA= 72.34 DGAMMA= .04
BETA =103.64 DBETA = .03
ALPHA= 81.644 DALPHA= .005
V= 395.0
28. 31-0625
Fe4H33P15O45*6H2O
Triklin
Dexp Dcal d(D) h k l
8.1006 8.0989 .0017 1 0 0
6.5007 6.5344 -.0337 0 1 0
5.8003 5.8397 -.0394 0 0 1
5.2004 5.2001 .0003 -1 -1 1
4.2004 4.1956 .0048 -2 -1 1
3.8003 3.7951 .0052 -1 1 1
3.6003 3.6097 -.0094 1 1 1
3.3603 3.3558 .0045 1 -1 1
3.1702 3.1667 .0035 -2 -2 1
3.0602 3.0620 -.0018 -2 1 0
2.8902 2.8883 .0020 2 0 1
2.8602 2.8608 -.0006 -3 0 1
A= 9.236 DA= .003
B= 7.015 DB= .003
C= 6.39492 DC= .00007
GAMMA= 69.383 DGAMMA= .006
BETA =113.44 DBETA = .03
ALPHA=102.93 DALPHA= .05
V= 354.12
29. 31-0643
FeMo4S6
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
6.4403 6.4388 .0015 1 0 1
4.7694 4.7644 .0050 0 1 0
4.3643 4.3659 -.0016 2 0 1
3.4290 3.4295 -.0005 3 0 0
2.9853 2.9855 -.0002 1 1 2
2.6668 2.6675 -.0007 2 1 2
2.4560 2.4557 .0003 4 0 1
2.3817 2.3822 -.0005 0 2 0
2.2341 2.2342 -.0000 1 2 1
2.1463 2.1463 -.0000 3 0 3
2.0917 2.0912 .0005 2 2 1
1.9965 1.9966 -.0001 5 0 1
1.9847 1.9846 .0002 4 1 2
1.9563 1.9565 -.0002 3 2 0
1.8630 1.8625 .0005 1 1 4
1.7767 1.7772 -.0005 2 1 4
a=10.2883 b= 4.7644 c= 8.25531
da= .0002 db= .0008 dc= .00003
V= 404.66
30. 31-1002
KErFe{CN}6*3H2O
Triklin
Dexp Dcal d(D) h k l
5.6103 5.6052 .0051 0 1 1
4.5402 4.5371 .0031 0 -1 1
3.8103 3.8084 .0019 1 1 1
3.6103 3.6159 -.0055 -1 0 1
3.1402 3.1412 -.0010 0 0 2
3.0002 3.0012 -.0010 1 -2 1
2.8302 2.8289 .0012 1 1 2
2.5602 2.5564 .0038 -1 1 2
2.4702 2.4684 .0018 -1 0 2
2.3302 2.3280 .0022 1 -3 1
2.2302 2.2306 -.0004 1 3 0
2.0901 2.0905 -.0004 1 3 2
A= 5.1811 DA= .0003
B= 8.504 DB= .005
C= 6.506 DC= .001
GAMMA= 99.02 DGAMMA= .03
BETA = 81.448 DBETA = .004
ALPHA= 79.20 DALPHA= .03
V= 273.4
31. 31-1017
KGdFe{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
5.8304 5.8186 .0118 -1 1 1
5.1403 5.1288 .0115 0 1 1
4.6404 4.6410 -.0007 0 -1 1
4.0403 4.0380 .0023 -1 -1 1
3.6803 3.6789 .0014 -1 2 0
3.6403 3.6354 .0049 -1 1 2
3.4503 3.4453 .0050 1 -1 1
3.1903 3.1947 -.0045 0 0 2
2.8772 2.8790 -.0018 1 2 0
2.7692 2.7741 -.0049 1 -2 1
2.6112 2.6122 -.0010 2 1 0
2.5022 2.5036 -.0014 0 3 0
A= 7.4072 DA= .0004
B= 8.0825 DB= .0001
C= 7.4359 DC= .0009
GAMMA=110.94 DGAMMA= .02
BETA =120.277 DBETA = .005
ALPHA= 74.85 DALPHA= .01
V=357.4
32. 31-1031
K3Fe2{PO4}3
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
6.2804 6.2778 .0026 1 1 0
5.3704 5.3697 .0007 2 0 0
5.3405 5.3381 .0024 -1 1 1
4.9103 4.9075 .0027 -1 0 2
4.7903 4.7932 -.0029 0 1 2
4.5903 4.5924 -.0021 -2 0 1
4.4974 4.4970 .0004 2 0 2
a= 10.956 b= 7.737 c=12.457 beta= 78.6
da=.002 db=.005 dc= .003 dbet=.1
V= 1035
33. 31-1036
KFeP2O7*H2O
Triklin
Dexp Dcal d(D) h k l
7.7105 7.7069 .0036 0 1 1
7.3107 7.3120 -.0013 0 -1 1
6.6403 6.6310 .0093 -1 0 1
6.1806 6.1670 .0136 -1 1 0
5.5105 5.5070 .0035 0 1 2
4.1102 4.1123 -.0021 -1 1 3
3.8603 3.8561 .0042 1 -2 1
3.5502 3.5496 .0007 -2 1 1
3.2902 3.2875 .0027 -1 0 4
3.2302 3.2294 .0008 1 -1 3
3.1102 3.1093 .0009 -2 2 2
3.0602 3.0590 .0012 0 -1 4
A= 7.14736 DA= .00003
B= 9.4523 DB= .0001
C= 13.722 DC= .003
GAMMA=105.40 DGAMMA= .02
BETA =104.64 DBETA = .01
ALPHA= 83.137 DALPHA= .007
V= 863.45
34. 31-1037
KFe3P6O20*10H2O
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
8.3309 8.3811 -.0502 2 0 0
7.8507 7.8915 -.0409 0 0 1
7.1003 7.1398 -.0395 1 0 1
5.7304 5.7454 -.0150 2 0 1
4.5402 4.5399 .0004 0 1 0
4.1903 4.1906 -.0002 4 0 0
3.9903 3.9919 -.0016 2 1 0
3.9403 3.9352 .0051 0 1 1
3.7003 3.7011 -.0008 4 0 1
3.5602 3.5621 -.0018 2 1 1
3.2102 3.2173 -.0071 3 1 1
3.0802 3.0793 .0009 4 1 0
a=16.762 b= 4.5398 c= 7.89
da= .006 db= .0002 dc= .01
v= 600.5
35. 31-1038
K2Fe4P4O17*5H2O
Triklin
Dexp Dcal d(D) h k l
7.5007 7.4966 .0041 -1 1 1
6.7706 6.7643 .0063 1 1 0
5.9203 5.9283 -.0080 -1 -1 1
4.7304 4.7304 .0000 1 -1 1
4.2303 4.2285 .0018 0 2 2
4.2004 4.1956 .0048 -2 0 1
4.0504 4.0480 .0024 -1 4 1
3.7803 3.7799 .0004 -2 1 2
3.3402 3.3404 -.0001 1 0 2
3.2002 3.1991 .0011 -1 2 3
3.0902 3.0911 -.0009 -1 5 0
3.0302 3.0283 .0020 0 -3 2
A= 8.673 DA= .002
B= 16.782 DB= .003
C= 9.644 DC= .001
GAMMA=103.00 DGAMMA= .07
BETA =112.89 DBETA = .09
ALPHA= 72.93 DALPHA= .01
V= 1226.4
36. 31-1039
KFeP2O7*2H2O
Triklin
Dexp Dcal d(D) h k l
9.9007 9.8882 .0125 0 1 1
8.0006 8.0107 -.0101 -1 1 0
6.9006 6.9000 .0006 0 -1 1
6.4603 6.4628 -.0025 0 1 2
5.5605 5.5543 .0062 -1 1 2
4.8904 4.8922 -.0018 -1 2 2
4.0803 4.0804 -.0001 -2 2 1
3.6902 3.6902 .0001 0 3 1
3.5303 3.5314 -.0011 2 1 0
3.4503 3.4500 .0003 0 -2 2
3.3402 3.3412 -.0010 0 1 4
3.1602 3.1593 .0009 -1 1 4
3.0502 3.0505 -.0003 -1 -1 3
2.8502 2.8498 .0004 2 2 0
2.5902 2.5900 .0002 2 0 4
A= 9.0111 DA= .0006
B= 11.794 DB= .001
C= 13.416 DC= .003
GAMMA=109.69 DGAMMA= .01
BETA = 93.96 DBETA = .01
ALPHA= 69.33 DALPHA= .01
V= 1254.1
37. 31-1739
C8H10Fe2O14*2H2O
Triklin
Dexp Dcal d(D) h k l
7.6806 7.6962 -.0157 0 1 1
6.7305 6.7440 -.0135 1 0 1
6.4604 6.4606 -.0003 0 -1 1
6.2005 6.2157 -.0152 0 0 2
5.7203 5.7243 -.0040 1 1 1
5.1803 5.1904 -.0101 -1 1 0
4.2603 4.2565 .0037 0 2 1
3.9603 3.9632 -.0030 1 1 3
3.6903 3.6882 .0020 1 2 2
3.4102 3.4096 .0006 -1 2 1
3.3102 3.3139 -.0037 2 1 2
3.2402 3.2386 .0017 2 1 0
A= 7.110 DA= .004
B= 8.666 DB= .003
C= 13.10689 DC= .00000
GAMMA= 83.96 DGAMMA= .01
BETA = 74.87 DBETA = .01
ALPHA= 78.10 DALPHA= .01
V= 761.72
38. 31-1741
C5H5Cl3Fe3NO3
Triklin
Dexp Dcal d(D) h k l
6.8007 6.8039 -.0032 0 -1 1
3.4863 3.4862 .0001 1 -1 2
3.0942 3.0943 -.0001 0 -1 3
2.9522 2.9528 -.0006 1 -2 2
2.6632 2.6634 -.0002 1 -1 3
2.3622 2.3627 -.0005 2 0 2
2.2611 2.2606 .0006 -2 2 1
2.0981 2.0986 -.0005 -1 3 1
1.8956 1.8959 -.0003 -2 -3 1
1.8709 1.8708 .0002 0 3 2
1.8364 1.8363 .0001 0 -4 3
1.7492 1.7492 .0001 -1 -4 3
A= 6.0764 DA= .0003
B= 7.6884 DB= .0001
C= 9.3496 DC= .0002
GAMMA= 92.942 DGAMMA= .002
BETA = 95.2448 DBETA = .0008
ALPHA=108.9552 DALPHA= .0007
V=409.9
39. 31-1742
C15H26Br2FeN2
Monoklin
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
8.1809 8.2311 -.0502 2 0 0
6.7704 6.6855 .0850 0 1 0
6.5806 6.5300 .0506 2 0 1
6.2105 6.1942 .0163 1 1 0
5.3802 5.3640 .0162 1 1 1
4.4902 4.4934 -.0032 2 0 2
4.0403 4.0545 -.0142 1 1 2
3.8302 3.8424 -.0122 4 0 1
3.5003 3.5047 -.0044 4 1 0
3.2602 3.2650 -.0048 4 0 2
3.1302 3.1330 -.0028 1 2 1
2.7602 2.7587 .0015 3 2 1
a=16.46 b= 6.685 c=10.726
da= .01 db= .009 dc= .006
V=1181
Grupa 4,11
Dexp Dcal d(D) h k l
8.1809 8.1686 .0123 1 1 0
6.7704 6.7678 .0027 1 1 1
6.5806 6.5465 .0341 -1 0 1
6.2105 6.2101 .0004 0 2 0
5.3802 5.3889 -.0087 1 2 0
4.4902 4.5054 -.0152 -1 2 1
4.0403 4.0357 .0046 2 0 2
3.8302 3.8381 -.0079 2 1 2
3.5003 3.4991 .0012 -1 3 1
3.2602 3.2605 -.0002 1 0 3
3.1302 3.1278 .0024 1 3 2
2.7602 2.7636 -.0033 4 0 1
a= 11.09 b= 12.420 c=.01 beta= 77.99
da=.02 db=.006 dc=.01 dbet=.04
V= 1323
Triklin
Dexp Dcal d(D) h k l
8.1809 8.1771 .0038 0 1 1
6.7704 6.7534 .0171 1 1 0
6.5806 6.5908 -.0102 0 -1 1
6.2105 6.2181 -.0076 0 0 2
5.3802 5.3704 .0098 -1 -1 1
4.4902 4.4968 -.0066 1 2 0
4.0403 4.0397 .0006 1 1 3
3.8302 3.8305 -.0003 2 1 1
3.5003 3.5005 -.0002 2 2 1
3.2602 3.2591 .0011 1 3 1
3.1302 3.1307 -.0005 1 3 0
2.7602 2.7601 .0001 0 -3 1
A= 7.710 DA= .006
B= 9.808 DB= .004
C= 12.989 DC= .003
GAMMA= 69.21 DGAMMA= .04
BETA = 79.24 DBETA = .03
ALPHA= 74.22 DALPHA= .03
V= 879.2
40. 31-1743
C15H26Cl2FeN2
Triklin
Dexp Dcal d(D) h k l
8.2709 8.2689 .0019 1 0 0
7.2403 7.2312 .0091 -1 1 0
6.7006 6.7109 -.0103 -1 0 1
6.4206 6.4322 -.0116 1 0 1
6.2005 6.2275 -.0270 -1 1 1
5.4004 5.4035 -.0031 0 0 2
4.3902 4.3862 .0040 0 -1 2
4.0503 4.0439 .0064 -1 2 1
3.9603 3.9663 -.0060 0 2 0
3.5102 3.5081 .0021 -2 2 1
3.2602 3.2591 .0011 0 2 2
3.1502 3.1469 .0033 1 2 0
A= 8.933 DA= .003
B= 8.5675 DB= .0008
C= 10.837 DC= .007
GAMMA=112.10 DGAMMA= .04
BETA = 93.63 DBETA = .01
ALPHA= 86.556 DALPHA= .004
V= 766.3