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 = 0.5 GPa
_database_code_amcsd 0003166
CELL PARAMETERS: 4.6152 9.9870 3.0316 90.000 90.000 90.000
SPACE GROUP: Pbnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 139.733
Density (g/cm3): 4.175
MAX. ABS. INTENSITY / VOLUME**2: 39.57967730
RIR: 3.087
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.76 13.54 4.9935 0 2 0 2
21.21 100.00 4.1895 1 1 0 4
26.29 11.70 3.3893 1 2 0 4
33.18 44.47 2.6999 1 3 0 4
34.61 24.21 2.5914 0 2 1 4
35.43 5.16 2.5338 1 0 1 4
35.97 15.45 2.4968 0 4 0 2
36.59 68.36 2.4560 1 1 1 8
39.03 2.99 2.3076 2 0 0 2
39.90 8.70 2.2596 1 2 1 8
40.10 3.35 2.2484 2 1 0 4
41.10 16.28 2.1960 1 4 0 4
43.19 1.29 2.0947 2 2 0 4
44.96 3.55 2.0162 1 3 1 8
47.16 6.57 1.9273 0 4 1 4
50.54 10.67 1.8059 2 1 1 8
51.38 2.54 1.7784 1 4 1 8
53.15 35.43 1.7234 2 2 1 8
54.12 9.56 1.6946 2 4 0 4
55.18 3.70 1.6645 0 6 0 2
57.30 7.49 1.6078 2 3 1 8
58.87 23.88 1.5686 1 5 1 8
61.14 10.43 1.5158 0 0 2 2
61.39 4.70 1.5102 2 5 0 4
62.82 3.51 1.4792 2 4 1 8
63.25 4.73 1.4702 3 2 0 4
63.79 10.00 1.4590 0 6 1 4
65.48 6.03 1.4254 1 1 2 8
67.01 4.33 1.3965 3 3 0 4
67.72 1.15 1.3837 1 2 2 8
68.38 4.57 1.3719 3 0 1 4
68.88 5.50 1.3631 1 7 0 4
69.11 2.14 1.3591 3 1 1 8
69.65 2.16 1.3500 2 6 0 4
71.29 2.09 1.3229 3 2 1 8
71.36 7.35 1.3217 1 3 2 8
73.02 3.02 1.2957 0 4 2 4
74.86 1.89 1.2684 3 3 1 8
74.96 1.04 1.2669 2 0 2 4
76.34 2.61 1.2475 1 4 2 8
79.76 3.40 1.2023 3 4 1 8
83.80 2.61 1.1543 0 8 1 4
84.54 2.97 1.1462 4 1 0 4
85.96 1.13 1.1308 3 5 1 8
86.06 3.65 1.1298 2 4 2 8
86.06 1.02 1.1298 3 6 0 4
86.36 1.02 1.1266 2 7 1 8
86.92 1.53 1.1207 0 6 2 4
89.19 1.26 1.0980 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.