Schafarzikite
Hinrichsen B, Dinnebier R E, Rajiv P, Hanfland M, Grzechnik A, Jansen M
Journal of Physics: Condensed Matter 18 (2006) S1021-S1037
Advances in data reduction of high-pressure X-ray powder diffraction data from
two-dimensional detectors: a case study of schafarzikite (FeSb2O4)
Note: P = 4.2 GPa, this is denoted as Phase II
_database_code_amcsd 0018889
CELL PARAMETERS: 5.7792 8.3134 8.4545 90.000 91.879 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 405.976
Density (g/cm3): 5.944
MAX. ABS. INTENSITY / VOLUME**2: 44.44510210
RIR: 2.435
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.95 9.77 5.9262 0 1 1 4
15.34 1.17 5.7761 1 0 0 2
21.03 26.98 4.2250 0 0 2 2
21.38 18.30 4.1567 0 2 0 2
23.62 1.79 3.7665 0 1 2 4
27.90 90.07 3.1980 -1 1 2 4
28.29 100.00 3.1542 -1 2 1 4
28.67 82.04 3.1136 1 1 2 4
28.68 88.04 3.1129 1 2 1 4
30.16 41.82 2.9631 0 2 2 4
30.96 37.36 2.8880 2 0 0 2
33.59 45.39 2.6677 0 1 3 4
34.05 41.62 2.6332 0 3 1 4
34.22 16.82 2.6200 -2 1 1 4
34.87 25.32 2.5730 2 1 1 4
37.13 21.24 2.4215 -2 0 2 2
37.39 1.75 2.4052 -1 3 1 4
37.69 2.77 2.3867 1 3 1 4
37.94 30.69 2.3718 2 2 0 4
38.32 15.89 2.3486 2 0 2 2
38.73 3.94 2.3249 -2 1 2 4
39.17 1.96 2.2997 -2 2 1 4
39.75 2.71 2.2677 2 2 1 4
39.89 5.71 2.2602 2 1 2 4
42.81 1.24 2.1125 0 0 4 2
43.55 2.59 2.0784 0 4 0 2
44.91 1.98 2.0182 0 4 1 4
45.22 1.10 2.0053 -1 0 4 2
45.57 1.70 1.9907 -2 1 3 4
45.94 11.98 1.9754 0 3 3 4
46.43 1.02 1.9556 1 4 0 4
46.59 26.02 1.9494 -1 1 4 4
46.93 3.21 1.9360 2 3 1 4
47.09 1.75 1.9300 2 1 3 4
47.59 17.31 1.9107 1 1 4 4
47.61 19.81 1.9099 -1 4 1 4
47.86 19.32 1.9006 1 4 1 4
48.33 9.22 1.8832 0 2 4 4
48.83 10.28 1.8649 0 4 2 4
50.15 1.51 1.8189 3 1 1 4
51.00 1.01 1.7906 2 2 3 4
51.48 1.43 1.7752 1 2 4 4
52.76 10.04 1.7350 -3 1 2 4
52.85 5.67 1.7323 -2 0 4 2
53.22 13.55 1.7210 -3 2 1 4
53.91 9.14 1.7009 3 2 1 4
54.13 11.90 1.6944 3 1 2 4
54.39 14.40 1.6869 2 4 0 4
54.66 5.41 1.6790 2 0 4 2
55.77 31.33 1.6482 -2 3 3 4
57.09 27.70 1.6133 2 3 3 4
58.47 1.39 1.5786 1 1 5 4
60.83 4.52 1.5228 -1 2 5 4
61.87 5.38 1.4996 1 2 5 4
61.90 5.48 1.4990 -1 5 2 4
62.31 4.98 1.4900 1 5 2 4
62.71 2.92 1.4815 0 4 4 4
63.89 4.12 1.4570 -2 1 5 4
64.53 9.43 1.4440 4 0 0 2
64.59 5.82 1.4428 0 3 5 4
65.15 5.13 1.4318 0 5 3 4
65.48 5.97 1.4254 -3 1 4 4
65.54 2.68 1.4243 -2 5 1 4
65.91 2.42 1.4172 2 1 5 4
65.94 3.69 1.4166 2 5 1 4
66.38 7.20 1.4083 0 0 6 2
66.81 1.06 1.4003 3 0 4 2
66.90 5.57 1.3986 -3 4 1 4
67.45 1.08 1.3885 0 1 6 4
67.50 3.71 1.3877 3 4 1 4
67.61 7.20 1.3856 0 6 0 2
67.87 4.34 1.3809 3 1 4 4
72.02 1.08 1.3112 0 4 5 4
72.10 2.45 1.3100 -4 2 2 4
73.61 2.82 1.2868 -4 1 3 4
73.68 2.64 1.2858 -1 4 5 4
74.07 3.35 1.2799 -1 5 4 4
74.63 2.82 1.2717 1 4 5 4
74.64 1.81 1.2716 -4 3 1 4
74.83 2.74 1.2688 1 5 4 4
75.40 3.11 1.2607 4 3 1 4
75.89 2.20 1.2537 4 1 3 4
76.21 1.65 1.2492 2 6 0 4
77.39 1.68 1.2331 -3 2 5 4
77.96 2.35 1.2255 -2 2 6 4
78.91 1.54 1.2132 -3 5 2 4
79.74 2.66 1.2026 -2 6 2 4
80.02 2.15 1.1990 3 5 2 4
80.19 1.72 1.1970 3 2 5 4
80.20 1.82 1.1969 2 2 6 4
80.48 1.73 1.1934 2 6 2 4
81.69 1.38 1.1787 -4 3 3 4
83.90 1.17 1.1532 4 3 3 4
84.20 1.22 1.1498 -4 4 2 4
84.78 1.17 1.1435 -1 2 7 4
86.03 1.17 1.1301 4 2 4 4
86.06 1.20 1.1297 1 2 7 4
86.66 1.32 1.1235 -1 7 2 4
87.03 1.40 1.1197 1 7 2 4
87.62 1.05 1.1136 -5 1 2 4
88.17 1.85 1.1080 -5 2 1 4
88.31 1.79 1.1067 0 3 7 4
88.43 1.13 1.1055 -2 5 5 4
89.09 1.03 1.0990 5 2 1 4
89.31 1.14 1.0968 -3 4 5 4
89.45 1.49 1.0955 5 1 2 4
89.57 1.94 1.0943 0 7 3 4
89.87 1.54 1.0914 -3 5 4 4
89.87 1.69 1.0914 -2 4 6 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.