Mohrite
Figgis B N, Kucharski E S, Reynolds P A, Tasset F
Acta Crystallographica C45 (1989) 942-944
The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction
Locality: synthetic
_database_code_amcsd 0010076
CELL PARAMETERS: 9.1670 12.4050 6.3050 90.000 106.710 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 686.707
Density (g/cm3): 1.896
MAX. ABS. INTENSITY / VOLUME**2: 4.651102942
RIR: 0.799
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.35 1.94 7.1665 1 1 0 4
14.28 35.86 6.2025 0 2 0 2
14.67 22.32 6.0388 0 0 1 2
16.33 52.78 5.4296 0 1 1 4
16.83 13.33 5.2670 -1 1 1 4
17.51 27.59 5.0659 1 2 0 4
20.23 31.78 4.3899 2 0 0 2
20.53 25.89 4.3268 0 2 1 4
20.94 41.23 4.2431 -1 2 1 4
21.33 75.45 4.1659 -2 0 1 2
21.35 63.07 4.1616 1 1 1 4
21.47 33.79 4.1385 2 1 0 4
22.51 11.37 3.9492 -2 1 1 4
23.79 100.00 3.7409 1 3 0 4
24.74 11.86 3.5983 1 2 1 4
24.85 8.49 3.5833 2 2 0 4
25.76 5.30 3.4583 -2 2 1 4
26.12 21.44 3.4118 0 3 1 4
26.45 21.80 3.3703 -1 3 1 4
28.36 10.46 3.1465 2 0 1 2
28.79 13.93 3.1012 0 4 0 2
29.28 69.17 3.0504 -1 1 2 4
29.28 25.92 3.0499 2 1 1 4
30.46 7.27 2.9348 -2 3 1 4
30.47 3.42 2.9337 0 1 2 4
30.73 2.93 2.9095 -3 1 1 4
30.74 5.99 2.9087 -2 0 2 2
31.41 9.23 2.8484 3 1 0 4
31.59 3.72 2.8319 -2 1 2 4
31.89 23.10 2.8065 -1 2 2 4
31.89 29.47 2.8061 2 2 1 4
32.72 3.89 2.7367 -1 4 1 4
33.24 8.65 2.6955 -3 2 1 4
33.87 1.93 2.6468 3 2 0 4
34.04 1.62 2.6335 -2 2 2 4
34.85 1.77 2.5747 1 1 2 4
35.36 3.64 2.5382 1 4 1 4
35.44 7.81 2.5330 2 4 0 4
35.86 11.17 2.5040 2 3 1 4
36.82 1.36 2.4407 -3 1 2 4
36.86 4.19 2.4385 0 3 2 4
37.08 43.15 2.4245 -3 3 1 4
37.65 4.90 2.3888 3 3 0 4
37.82 2.16 2.3791 -2 3 2 4
39.26 3.07 2.2949 0 5 1 4
39.49 1.45 2.2821 -1 5 1 4
40.63 2.11 2.2204 1 3 2 4
40.85 1.74 2.2089 -1 4 2 4
40.86 24.64 2.2087 2 4 1 4
41.75 14.87 2.1634 0 4 2 4
41.76 4.72 2.1632 1 5 1 4
41.79 3.68 2.1614 4 1 0 4
41.82 2.11 2.1599 2 5 0 4
41.95 1.84 2.1536 -3 4 1 4
42.38 2.60 2.1327 -3 3 2 4
42.40 4.05 2.1316 -2 5 1 4
42.47 8.09 2.1285 3 4 0 4
42.61 8.96 2.1216 -2 4 2 4
43.75 15.69 2.0692 4 2 0 4
43.75 2.79 2.0689 -2 0 3 2
43.77 1.37 2.0684 -1 1 3 4
44.39 3.18 2.0408 -2 1 3 4
45.04 8.38 2.0129 0 0 3 2
45.96 4.12 1.9746 -4 2 2 4
46.42 5.25 1.9560 0 6 1 4
46.62 1.23 1.9483 2 3 2 4
46.62 2.95 1.9482 2 5 1 4
46.80 1.66 1.9413 -3 4 2 4
47.43 2.44 1.9169 0 5 2 4
47.45 12.44 1.9159 -3 1 3 4
47.49 1.94 1.9146 0 2 3 4
47.61 9.61 1.9101 -3 5 1 4
48.08 6.71 1.8925 3 5 0 4
48.62 1.57 1.8726 1 6 1 4
48.67 6.16 1.8708 -1 3 3 4
48.68 1.92 1.8704 2 6 0 4
49.20 6.21 1.8520 -2 6 1 4
49.23 1.06 1.8508 -3 2 3 4
49.25 10.64 1.8503 -2 3 3 4
49.56 2.18 1.8394 -4 4 1 4
49.78 1.48 1.8318 3 1 2 4
49.85 5.77 1.8294 1 1 3 4
50.31 4.16 1.8137 -5 1 1 4
50.34 4.93 1.8126 4 2 1 4
50.42 4.90 1.8099 0 3 3 4
50.74 6.04 1.7991 2 4 2 4
50.97 7.61 1.7916 4 4 0 4
51.49 1.18 1.7747 3 2 2 4
51.56 1.53 1.7725 1 2 3 4
52.04 4.29 1.7573 -3 5 2 4
52.64 10.92 1.7386 5 1 0 4
52.99 3.68 1.7280 -1 6 2 4
53.16 1.24 1.7230 4 3 1 4
53.22 5.99 1.7211 -2 4 3 4
53.36 4.76 1.7171 3 5 1 4
53.73 4.12 1.7059 0 6 2 4
54.27 3.13 1.6903 3 3 2 4
54.29 2.52 1.6898 -4 2 3 4
54.33 1.09 1.6886 3 6 0 4
54.34 3.97 1.6884 1 3 3 4
54.45 4.18 1.6852 -2 6 2 4
54.77 1.49 1.6760 -5 3 1 4
55.90 2.66 1.6447 1 7 1 4
55.93 2.06 1.6439 4 5 0 4
56.43 1.56 1.6307 -2 7 1 4
56.61 1.52 1.6259 1 6 2 4
56.94 3.63 1.6172 4 4 1 4
56.97 1.56 1.6165 -4 3 3 4
56.98 1.04 1.6163 5 3 0 4
57.08 2.63 1.6137 -5 3 2 4
57.54 2.06 1.6018 2 2 3 4
57.80 2.10 1.5953 -4 5 2 4
58.67 3.23 1.5735 -2 0 4 2
59.20 1.08 1.5608 4 1 2 4
59.35 2.22 1.5571 5 1 1 4
59.55 1.82 1.5525 -5 1 3 4
59.90 2.26 1.5442 -1 7 2 4
60.38 3.73 1.5330 -4 6 1 4
60.58 1.28 1.5283 0 7 2 4
60.59 5.50 1.5282 -4 4 3 4
60.72 2.52 1.5252 -2 2 4 4
60.89 1.48 1.5215 5 2 1 4
61.41 1.21 1.5097 0 0 4 2
61.43 1.68 1.5094 2 6 2 4
61.77 2.24 1.5019 0 8 1 4
62.39 2.50 1.4885 -3 2 4 4
62.59 1.04 1.4842 3 5 2 4
63.24 1.53 1.4704 4 3 2 4
63.26 5.40 1.4700 1 7 2 4
63.39 2.56 1.4674 -4 6 2 4
63.41 1.24 1.4669 0 2 4 4
63.57 3.67 1.4636 -1 3 4 4
63.63 1.85 1.4623 3 1 3 4
64.08 1.62 1.4532 -2 8 1 4
64.62 1.45 1.4423 0 6 3 4
64.86 2.06 1.4376 -3 3 4 4
65.17 3.86 1.4315 -5 5 2 4
65.54 2.24 1.4242 6 2 0 4
65.70 4.73 1.4211 3 7 1 4
65.97 1.37 1.4160 -4 2 4 4
66.19 1.19 1.4119 1 1 4 4
66.44 1.19 1.4072 -6 3 2 4
67.95 3.24 1.3795 3 6 2 4
68.01 2.57 1.3785 1 6 3 4
69.35 1.98 1.3551 -6 2 3 4
69.66 2.43 1.3497 -4 7 2 4
69.93 3.27 1.3452 -5 1 4 4
70.17 3.17 1.3412 -1 9 1 4
70.43 1.39 1.3369 6 0 1 2
70.90 2.58 1.3292 6 1 1 4
70.92 1.22 1.3288 -2 5 4 4
70.93 1.05 1.3286 4 5 2 4
71.25 3.06 1.3236 -1 5 4 4
71.72 1.01 1.3160 2 0 4 2
71.73 1.41 1.3158 1 9 1 4
72.22 1.59 1.3082 -3 7 3 4
72.46 1.19 1.3043 -3 5 4 4
72.88 2.14 1.2979 -7 1 1 4
73.27 1.41 1.2920 1 4 4 4
73.57 1.37 1.2873 2 2 4 4
73.86 3.96 1.2830 -4 8 1 4
74.08 1.73 1.2798 4 2 3 4
74.26 1.07 1.2771 -7 2 1 4
75.00 1.63 1.2663 3 5 3 4
76.00 1.07 1.2521 -2 6 4 4
76.31 3.28 1.2479 7 1 0 4
76.35 1.45 1.2473 5 7 0 4
78.27 1.29 1.2214 -1 2 5 4
78.68 1.56 1.2161 -4 0 5 2
78.76 1.17 1.2151 0 10 1 4
78.90 1.31 1.2132 -1 10 1 4
78.98 1.14 1.2122 -6 6 2 4
78.99 1.38 1.2121 -7 2 3 4
80.20 2.09 1.1968 -3 3 5 4
80.54 1.28 1.1926 3 9 1 4
80.67 1.82 1.1910 5 5 2 4
82.18 2.55 1.1730 -5 7 3 4
83.08 1.25 1.1626 2 5 4 4
83.73 2.25 1.1551 -6 4 4 4
84.44 1.81 1.1472 5 2 3 4
84.80 1.63 1.1433 7 2 1 4
84.91 1.03 1.1421 3 10 0 4
85.00 1.33 1.1411 -2 10 2 4
85.80 2.95 1.1325 2 8 3 4
86.79 1.52 1.1221 1 10 2 4
87.14 1.44 1.1185 1 11 0 4
87.33 1.11 1.1166 -3 5 5 4
88.54 2.07 1.1044 4 8 2 4
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.