1. 44-0734
{NH4}2FeAl{HPO4}4
Triklin
Dexp Dcal d(D) h k l
8.2500 8.2453 .0047 -1 0 1
7.6900 7.6867 .0033 -1 1 0
6.4900 6.4925 -.0025 1 0 1
6.1800 6.1785 .0015 1 1 0
5.7200 5.7119 .0081 0 1 1
4.3100 4.2991 .0109 -1 -1 2
4.1200 4.1226 -.0026 -2 0 2
3.9840 3.9885 -.0045 1 -1 2
3.9400 3.9368 .0032 -1 1 2
3.7650 3.7623 .0027 0 1 2
3.5540 3.5571 -.0031 2 1 1
3.3000 3.3001 -.0001 1 1 2
A= 12.09238 DA= .00001
B= 8.75765 DB= .00001
C= 9.63027 DC= .00000
GAMMA=100.86170 DGAMMA= .00001
BETA =101.89430 DBETA = .00001
ALPHA= 98.39382 DALPHA= .00002
V=961.6
2. 44-0735
{NH4}2FeF{HPO4}2
Triklin
Dexp Dcal d(D) h k l
8.2300 8.2085 .0215 0 1 2
8.0700 8.0683 .0017 -1 0 1
7.8000 7.7840 .0160 1 -1 1
7.3800 7.3678 .0122 1 0 2
7.2100 7.1931 .0169 0 -1 2
6.6800 6.6731 .0069 1 1 1
6.0000 6.0126 -.0126 -1 -1 1
5.4800 5.4844 -.0044 -1 2 1
5.4400 5.4360 .0040 0 2 2
5.3700 5.3629 .0071 1 -2 1
5.1700 5.1806 -.0106 1 1 3
5.0000 4.9991 .0009 0 0 4
A= 9.689 DA= .001
B= 12.274 DB= .001
C= 20.3048 DC= .0005
GAMMA=102.347 DGAMMA= .006
BETA = 83.556 DBETA = .007
ALPHA= 83.960 DALPHA= .002
V=2327
3. 44-0736
NH4Fe{HPO4}2
Triklin
Dexp Dcal d(D) h k l
8.2800 8.2821 -.0021 1 0 0
7.7100 7.7048 .0052 -1 1 0
6.5400 6.5326 .0074 1 -1 2
5.6800 5.6736 .0064 0 -2 2
5.0600 5.0609 -.0009 -1 0 2
4.5700 4.5671 .0029 0 3 0
4.3300 4.3299 .0001 -1 3 0
4.1700 4.1695 .0005 -2 1 0
4.0200 4.0187 .0013 -1 2 2
3.9400 3.9417 -.0017 -1 0 3
3.7600 3.7576 .0024 -2 1 1
3.5700 3.5732 -.0032 1 3 1
A= 8.7186 DA= .0003
B= 14.359 DB= .008
C= 16.0186 DC= .0001
GAMMA=103.16 DGAMMA= .02
BETA = 74.71 DBETA = .01
ALPHA=104.33 DALPHA= .02
V= 1845.7
4. 44-0748
CaFe2{HPO4}4*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.1000 9.1001 -.0001 1 1 0
8.5800 8.5815 -.0015 1 0 1
7.4900 7.4922 -.0022 1 1 1
4.1700 4.1733 -.0033 -1 3 1
3.6000 3.5998 .0002 -2 0 2
3.5000 3.5007 -.0007 0 1 3
3.3900 3.3890 .0010 -1 4 1
2.8600 2.8605 -.0005 3 0 3
2.6900 2.6901 -.0001 1 1 4
2.5800 2.5796 .0004 2 1 4
a= 11.4691 b= 15.36 c=10.953 beta= 79.973
da= .0001 db= .01 dc=.002 dbeta=.008
V= 1900.6
5. 44-0749
CaFe2{HPO4}4*8H2O
Triklin
Dexp Dcal d(D) h k l
10.6000 10.5884 .0116 -1 1 0
9.1000 9.1187 -.0187 1 1 0
8.6600 8.6508 .0092 0 0 1
5.6800 5.6842 -.0042 0 2 1
5.0900 5.0879 .0021 0 -2 1
4.5700 4.5622 .0078 -3 1 1
4.3500 4.3483 .0017 -1 3 1
4.1700 4.1690 .0010 -3 2 1
4.0400 4.0421 -.0021 -3 -1 1
3.9500 3.9409 .0091 2 2 1
3.6300 3.6257 .0043 -3 1 2
3.4500 3.4499 .0001 -1 -2 2
A= 14.510 DA= .006
B= 13.971 DB= .008
C= 8.936 DC= .001
GAMMA=100.17 DGAMMA= .03
BETA =103.02 DBETA = .04
ALPHA= 81.46 DALPHA= .02
V=1726.3
6. 44-0750
CaFe2{HPO4}*5H2O
Triklin
Dexp Dcal d(D) h k l
10.6000 10.6086 -.0086 -1 0 1
9.0000 9.0199 -.0199 0 1 0
7.9600 7.9483 .0117 1 0 1
4.9200 4.9201 -.0001 0 1 2
4.5000 4.5049 -.0049 -1 0 3
4.4400 4.4462 -.0062 2 -1 1
4.1700 4.1697 .0003 0 -1 3
4.0200 4.0164 .0036 1 -2 1
3.9700 3.9742 -.0042 2 0 2
3.9000 3.8999 .0001 -1 2 1
3.6400 3.6383 .0017 1 -1 3
3.5700 3.5667 .0033 2 1 2
A= 13.073 DA= .001
B= 9.195 DB= .003
C= 13.780 DC= .002
GAMMA= 83.34 DGAMMA= .04
BETA =107.216 DBETA = .003
ALPHA=100.563 DALPHA= .002
V=1551.3
7. 44-0772
Fe(PO3}3
Triklin
(оч.слаб. опущены)
Dexp Dcal d(D) h k l
5.4500 5.4475 .0025 0 1 1
5.2600 5.2611 -.0011 -1 0 2
4.6700 4.6723 -.0023 0 -1 1
3.8700 3.8689 .0011 -1 -1 2
3.5360 3.5383 -.0023 0 -1 2
3.4470 3.4497 -.0027 0 0 3
3.6790 3.6786 .0004 -1 0 3
3.5780 3.5749 .0031 1 1 2
3.2700 3.2684 .0016 2 0 1
3.0710 3.0714 -.0004 -2 1 1
3.0090 3.0065 .0025 -1 -1 3
2.9540 2.9542 -.0002 1 2 0
2.8630 2.8645 -.0015 -2 -1 3
2.7960 2.7974 -.0014 1 1 3
2.7240 2.7238 .0002 0 2 2
2.5540 2.5541 -.0001 -3 0 3
A= 8.512 DA= .002
B= 5.971 DB= .003
C= 11.133 DC= .001
GAMMA= 77.48 DGAMMA= .07
BETA =109.11 DBETA = .04
ALPHA= 84.57 DALPHA= .01
V= 513.4
8. 44-0779
{NH4}5Fe{P2O7}2*4H2O
Triklin
Dexp Dcal d(D) h k l
14.5000 14.5632 -.0632 1 0 0
11.6000 11.5963 .0037 1 1 0
10.4000 10.4662 -.0662 0 0 1
8.8500 8.8432 .0068 -1 -1 1
8.6400 8.6190 .0210 0 -1 1
8.0100 7.9457 .0643 0 1 1
7.7600 7.8009 -.0409 1 0 1
7.2800 7.2816 -.0016 2 0 0
7.0100 7.0112 -.0012 1 1 1
6.8600 6.8679 -.0079 1 2 0
6.6200 6.6210 -.0010 -2 0 1
6.5200 6.5142 .0058 1 -1 1
A= 15.56124 DA= .00002
B= 14.14711 DB= .00003
C= 10.79214 DC= .00000
GAMMA= 72.68034 DGAMMA= .00001
BETA =103.29730 DBETA = .00004
ALPHA= 98.41709 DALPHA= .00003
V=2199.0
9. 44-0795
NaFeH5{PO4}3*H2O
Triklin
Dexp Dcal d(D) h k l
6.4300 6.4274 .0026 -1 0 1
6.2500 6.2617 -.0117 0 1 1
4.7300 4.7310 -.0010 0 -1 1
4.4800 4.4810 -.0010 -1 -1 1
4.0300 4.0299 .0001 -1 2 0
3.9600 3.9606 -.0006 -2 -1 1
3.7800 3.7812 -.0012 3 1 1
3.5000 3.4989 .0011 2 2 0
3.3500 3.3505 -.0005 -4 0 1
3.2100 3.2137 -.0037 -2 0 2
3.1300 3.1309 -.0009 0 2 2
2.9700 2.9702 -.0002 -2 2 2
A= 15.11 DA= .02
B= 8.562 DB= .001
C= 7.324 DC= .001
GAMMA= 94.61 DGAMMA= .01
BETA = 92.54 DBETA = .07
ALPHA= 73.81 DALPHA= .01
V= 906.7
10. 44-0811
Fe3H15{PO4}8*4H2O
Triklin
Dexp Dcal d(D) h k l
8.8200 8.8186 .0014 0 0 1
7.5000 7.4882 .0118 1 -1 1
4.7700 4.7719 -.0019 0 -2 1
4.6500 4.6550 -.0050 2 -1 0
4.4100 4.4093 .0007 0 0 2
4.2500 4.2548 -.0048 0 2 0
4.2000 4.1982 .0018 1 -2 2
3.8010 3.8020 -.0010 -1 0 2
3.7450 3.7441 .0009 2 -2 2
3.7020 3.7049 -.0029 3 -1 1
3.2720 3.2744 -.0024 0 -1 3
3.2400 3.2406 -.0006 3 0 2
A= 11.536 DA= .007
B= 9.623 DB= .001
C= 10.264 DC= .004
GAMMA= 97.13 DGAMMA= .06
BETA = 74.596 DBETA = .01
ALPHA=117.84 DALPHA= .07
V= 971.4
11. 44-0812
Fe3H9{PO4}6**6H2O
Triklin
Dexp Dcal d(D) h k l
8.6100 8.6077 .0023 1 0 0
7.8400 7.8458 -.0058 -1 1 1
7.1100 7.1134 -.0034 -1 0 1
5.7400 5.7401 -.0001 1 -1 1
4.5600 4.5595 .0005 -2 1 0
4.1600 4.1592 .0008 1 -1 2
4.0000 4.0002 -.0002 2 -1 1
3.9600 3.9600 .0000 -1 2 3
3.5900 3.5913 -.0013 1 1 3
3.2300 3.2295 .0005 -2 -1 1
3.1800 3.1803 -.0003 1 -1 3
3.1000 3.0975 .0025 0 2 4
A= 9.3401 DA= .0001
B= 10.677 DB= .008
C= 13.22 DC= .01
GAMMA=112.88 DGAMMA= .03
BETA =100.24 DBETA = .03
ALPHA= 66.57 DALPHA= .06
V= 1114.7
12. 44-0814
C2H8N4O2*FeH3{PO4}2
Triklin
Dexp Dcal d(D) h k l
7.5200 7.5170 .0030 1 1 0
4.8820 4.8808 .0012 1 2 1
4.7270 4.7229 .0041 -1 -1 1
4.4730 4.4777 -.0047 0 -1 1
4.2950 4.2954 -.0004 0 1 2
3.9290 3.9348 -.0058 0 2 0
3.8050 3.8045 .0005 2 1 1
3.7700 3.7705 -.0005 0 0 2
3.6580 3.6575 .0005 -1 0 2
3.3290 3.3309 -.0019 1 -1 1
3.1430 3.1435 -.0005 2 0 1
3.0500 3.0504 -.0004 -2 -2 1
A= 8.582 DA= .001
B= 10.028 DB= .003
C= 8.6028 DC= .0008
GAMMA= 63.39 DGAMMA= .01
BETA = 86.99 DBETA = .01
ALPHA= 63.18 DALPHA= .01
V=580.7
13. 44-0814
C2H8N4O2*FeH3{PO4}2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.5200 7.5282 -.0082 1 1 0
4.8820 4.8742 .0078 2 0 0
4.7270 4.7310 -.0040 1 2 1
4.4730 4.4774 -.0044 1 1 2
4.2950 4.2936 .0014 -1 2 1
3.9290 3.9295 -.0005 2 0 2
3.8050 3.8065 -.0015 -1 1 2
3.7700 3.7718 -.0018 0 2 2
3.6580 3.6608 -.0028 1 3 0
3.3290 3.3290 .0000 1 0 3
3.1430 3.1437 -.0007 0 1 3
3.0500 3.0506 -.0006 2 0 3
a= 10.0122 b= 11.850 c= 10.046 beta= 76.81
da=.0007 db=.007 dc=.002 dbeta=.01
V= 1160.5
14. 44-1596
C20H20Cl6Fe2Pt
Triklin
Dexp Dcal d(D) h k l
10.8610 10.8387 .0223 1 0 0
8.6210 8.6068 .0142 -1 1 0
7.3750 7.3546 .0204 0 0 1
7.0700 7.0389 .0311 0 1 1
5.8940 5.9274 -.0334 1 1 1
5.4846 5.4824 .0022 -2 1 0
5.3494 5.3417 .0077 1 -1 1
5.0964 5.1098 -.0134 0 -1 1
4.9995 5.0004 -.0009 -1 2 0
4.3156 4.3126 .0030 2 1 1
4.2826 4.2758 .0068 -2 1 1
A= 11.5109 DA= .0008
B= 10.5008 DB= .0004
C= 7.8644 DC= .0003
GAMMA=104.142 DGAMMA= .005
BETA = 80.939 DBETA = .005
ALPHA= 74.394 DALPHA= .002
М=862.1
15. 44-1597
C20H20Cl6Fe2Os
Triklin
Dexp Dcal d(D) h k l
10.9420 10.9388 .0032 1 0 0
8.6720 8.6866 -.0146 -1 1 0
7.4490 7.4493 -.0003 0 0 1
7.0140 7.0091 .0049 -1 -1 1
5.9060 5.9197 -.0137 -1 2 0
5.4114 5.4089 .0025 1 0 1
5.1257 5.1282 -.0025 -2 1 0
5.0390 5.0494 -.0104 2 1 0
4.3197 4.3182 .0015 0 -3 1
4.2990 4.2950 .0040 -1 3 0
3.9900 3.9872 .0028 -1 -1 2
3.6656 3.6686 -.0030 -2 0 2
A= 11.547 DA= .005
B= 14.15 DB= .04
C= 8.010 DC= .003
GAMMA= 87.65 DGAMMA= .09
BETA =108.64 DBETA = .01
ALPHA=101.24 DALPHA= .02
V= 1216.1
16. 44-1666
C20H20IO6*FeCl3*3H2O
Triklin
Dexp Dcal d(D) h k l
9.7823 9.7778 .0045 0 0 1
7.8648 7.8729 -.0081 1 0 0
5.8278 5.8275 .0003 0 -2 1
5.0595 5.0613 -.0018 1 2 0
4.6617 4.6583 .0034 0 -2 2
4.2528 4.2530 -.0002 1 -1 2
4.0636 4.0592 .0044 -1 2 0
3.8595 3.8628 -.0033 -2 -1 1
3.6947 3.6960 -.0013 2 0 1
3.6276 3.6299 -.0023 0 3 0
3.2874 3.2872 .0002 -2 -2 2
3.1618 3.1619 -.0001 2 2 1
2.6145 2.6144 .0001 0 -1 4
2.4336 2.4327 .0009 3 2 1
2.3022 2.3026 -.0004 3 1 2
A= 8.110 DA= .008
B= 12.189 DB= .009
C= 10.652 DC= .002
GAMMA= 76.25 DGAMMA= .05
BETA = 93.636 DBETA = .004
ALPHA=113.30 DALPHA= .03
V= 938.9
17. 44-1674
C20H18FeN8O4S2*H2O
Triklin
Dexp Dcal d(D) h k l
12.6170 12.6140 .0030 1 0 0
7.4932 7.4887 .0045 0 1 0
6.9100 6.9143 -.0043 0 -1 1
6.2317 6.2316 .0001 -1 -1 1
6.0208 6.0222 -.0014 -1 1 0
5.4666 5.4605 .0061 1 0 2
4.6913 4.6950 -.0037 1 -1 2
4.4800 4.4773 .0027 -2 1 0
4.1485 4.1393 .0092 3 0 1
3.8801 3.8795 .0006 -2 1 1
3.7199 3.7188 .0011 -1 1 2
3.6302 3.6323 -.0021 3 0 2
A= 12.87 DA= .01
B= 7.718 DB= .001
C= 11.621 DC= .003
GAMMA= 82.03 DGAMMA= .02
BETA = 83.45 DBETA = .01
ALPHA=100.45 DALPHA= .07
V= 1112.7
18. 44-1854
C20H20ClFeN8O4S2*H2O
Triklin
Dexp Dcal d(D) h k l
12.6270 12.5933 .0337 1 0 0
7.4994 7.4931 .0063 1 1 0
6.9157 6.9281 -.0124 0 -1 1
6.2369 6.2362 .0007 1 0 1
6.0258 6.0213 .0045 -1 -1 1
6.4711 6.4414 .0297 -1 0 1
4.6952 4.6913 .0039 2 0 1
4.4837 4.4798 .0039 1 2 0
4.1520 4.1525 -.0005 -2 1 1
3.8833 3.8862 -.0029 2 1 1
3.7230 3.7221 .0009 -2 -2 1
3.6332 3.6351 -.0019 0 2 1
A= 12.633 DA= .003
B= 10.344 DB= .002
C= 7.663 DC= .003
GAMMA= 94.01 DGAMMA= .02
BETA = 90.89 DBETA = .03
ALPHA=106.78 DALPHA= .03
V=956.9
19. 44-1950
C14H20Cl3FeO5*4H2O
Triklin
Dexp Dcal d(D) h k l
7.7352 7.7393 -.0041 -1 0 1
6.7021 6.6876 .0145 1 1 1
5.6472 5.6492 -.0020 0 0 2
5.4545 5.4699 -.0154 -1 1 1
5.4289 5.4385 -.0096 -1 1 0
4.7878 4.7782 .0096 2 1 0
4.6103 4.6109 -.0006 -2 0 1
4.2511 4.2413 .0098 1 2 1
4.2390 4.2413 -.0023 1 2 1
4.1568 4.1597 -.0029 0 2 1
3.6239 3.6251 -.0012 1 1 3
3.4651 3.4676 -.0025 0 -2 1
A= 10.072 DA= .004
B= 8.66 DB= .01
C= 11.795 DC= .001
GAMMA= 74.40 DGAMMA= .04
BETA = 91.29 DBETA = .09
ALPHA= 74.35985 DALPHA= .06
V= 949.0
20. 44-1998
C14H20Cl3FeN2O9
Triklin
Dexp Dcal d(D) h k l
17.3860 17.4006 -.0146 1 0 0
15.4960 15.5112 -.0152 0 1 0
9.4033 9.4000 .0033 0 0 1
8.7531 8.7599 -.0068 2 1 0
8.0244 8.0273 -.0029 -1 0 1
6.8588 6.8526 .0062 0 -2 1
6.6040 6.6193 -.0153 -2 -1 1
6.0638 6.0437 .0201 3 1 0
5.5362 5.5335 .0027 1 2 1
5.1289 5.1253 .0036 -3 -1 1
4.1847 4.1848 -.0001 2 3 1
3.9015 3.9022 -.0007 -4 1 0
A= 18.19672 DA= .00003
B= 16.674 DB= .001
C= 9.6887 DC= .0001
GAMMA= 73.510 DGAMMA= .001
BETA = 89.844 DBETA = .004
ALPHA=103.395 DALPHA= .005
V=2736