Goethite
Nagai T, Kagi H, Yamanaka T
American Mineralogist 88 (2003) 1423-1427
Variation of hydrogen bonded O...O distances in goethite at high pressure
Sample at P = 2.8 GPa
_database_code_amcsd 0003167
CELL PARAMETERS: 4.5692 9.9428 3.0163 90.000 90.000 90.000
SPACE GROUP: Pbnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 137.032
Density (g/cm3): 4.257
MAX. ABS. INTENSITY / VOLUME**2: 40.05058801
RIR: 3.063
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.84 12.87 4.9714 0 2 0 2
21.40 100.00 4.1518 1 1 0 4
26.50 12.21 3.3641 1 2 0 4
33.40 44.40 2.6828 1 3 0 4
34.79 24.69 2.5788 0 2 1 4
35.67 5.36 2.5173 1 0 1 4
36.14 16.03 2.4857 0 4 0 2
36.83 68.52 2.4403 1 1 1 8
39.44 2.86 2.2846 2 0 0 2
40.15 8.82 2.2458 1 2 1 8
40.51 3.49 2.2266 2 1 0 4
41.35 16.32 2.1835 1 4 0 4
43.60 1.25 2.0759 2 2 0 4
45.23 3.97 2.0046 1 3 1 8
47.39 6.29 1.9183 0 4 1 4
50.98 10.66 1.7914 2 1 1 8
51.68 2.58 1.7687 1 4 1 8
53.59 35.29 1.7100 2 2 1 8
54.56 9.60 1.6821 2 4 0 4
55.45 3.63 1.6571 0 6 0 2
57.76 7.63 1.5961 2 3 1 8
59.21 23.78 1.5604 1 5 1 8
61.48 10.49 1.5081 0 0 2 2
61.86 4.68 1.4999 2 5 0 4
63.30 3.27 1.4691 2 4 1 8
63.93 4.82 1.4563 3 2 0 4
64.12 10.36 1.4524 0 6 1 4
65.89 6.05 1.4175 1 1 2 8
67.70 4.15 1.3839 3 3 0 4
68.14 1.19 1.3762 1 2 2 8
69.09 4.53 1.3596 3 0 1 4
69.27 5.59 1.3564 1 7 0 4
69.82 2.02 1.3470 3 1 1 8
70.16 2.02 1.3414 2 6 0 4
71.80 7.31 1.3147 1 3 2 8
72.01 2.07 1.3114 3 2 1 8
73.44 3.11 1.2894 0 4 2 4
75.54 1.01 1.2586 2 0 2 4
75.60 1.86 1.2579 3 3 1 8
76.81 2.60 1.2409 1 4 2 8
80.53 3.55 1.1928 3 4 1 8
84.27 2.52 1.1491 0 8 1 4
85.58 2.94 1.1348 4 1 0 4
86.71 3.69 1.1229 2 4 2 8
86.77 1.09 1.1223 3 5 1 8
86.86 1.06 1.1214 3 6 0 4
86.99 1.10 1.1200 2 7 1 8
87.45 1.50 1.1154 0 6 2 4
89.84 1.36 1.0918 2 8 0 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.