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 GPa
_database_code_amcsd 0003165
CELL PARAMETERS: 4.6250 9.9900 3.0370 90.000 90.000 90.000
SPACE GROUP: Pbnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 140.321
Density (g/cm3): 4.158
MAX. ABS. INTENSITY / VOLUME**2: 40.99241593
RIR: 3.210
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.76 11.40 4.9950 0 2 0 2
21.17 100.00 4.1970 1 1 0 4
26.26 9.60 3.3936 1 2 0 4
33.15 42.12 2.7024 1 3 0 4
34.56 24.37 2.5950 0 2 1 4
35.36 4.28 2.5386 1 0 1 4
35.96 14.72 2.4975 0 4 0 2
36.52 65.83 2.4604 1 1 1 8
38.95 3.27 2.3125 2 0 0 2
39.83 9.33 2.2631 1 2 1 8
40.02 2.54 2.2529 2 1 0 4
41.07 14.41 2.1976 1 4 0 4
43.11 1.10 2.0985 2 2 0 4
44.90 4.23 2.0189 1 3 1 8
47.11 5.54 1.9290 0 4 1 4
50.44 9.56 1.8094 2 1 1 8
51.32 2.33 1.7804 1 4 1 8
53.04 35.56 1.7265 2 2 1 8
54.04 10.51 1.6968 2 4 0 4
55.16 3.05 1.6650 0 6 0 2
57.20 6.08 1.6104 2 3 1 8
58.81 22.79 1.5700 1 5 1 8
61.02 10.07 1.5185 0 0 2 2
61.32 4.11 1.5119 2 5 0 4
62.72 3.10 1.4813 2 4 1 8
63.11 4.15 1.4731 3 2 0 4
63.75 10.57 1.4600 0 6 1 4
65.35 6.05 1.4279 1 1 2 8
66.88 4.61 1.3990 3 3 0 4
68.22 3.98 1.3747 3 0 1 4
68.85 5.51 1.3637 1 7 0 4
68.95 2.43 1.3619 3 1 1 8
69.58 2.00 1.3512 2 6 0 4
71.13 1.82 1.3254 3 2 1 8
71.23 6.99 1.3238 1 3 2 8
72.91 2.93 1.2975 0 4 2 4
74.70 2.17 1.2707 3 3 1 8
74.80 1.11 1.2693 2 0 2 4
76.21 2.29 1.2493 1 4 2 8
79.60 3.03 1.2043 3 4 1 8
83.75 2.34 1.1549 0 8 1 4
84.32 2.68 1.1486 4 1 0 4
85.80 1.38 1.1325 3 5 1 8
85.89 3.99 1.1316 2 4 2 8
85.92 1.00 1.1312 3 6 0 4
86.80 1.27 1.1220 0 6 2 4
89.11 1.43 1.0988 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.