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 = 6.3 GPa
_database_code_amcsd 0003168
CELL PARAMETERS: 4.5086 9.8759 2.9910 90.000 90.000 90.000
SPACE GROUP: Pbnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 133.179
Density (g/cm3): 4.380
MAX. ABS. INTENSITY / VOLUME**2: 40.52253596
RIR: 3.012
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.96 12.43 4.9380 0 2 0 2
21.67 100.00 4.1014 1 1 0 4
26.78 11.40 3.3295 1 2 0 4
33.71 44.26 2.6587 1 3 0 4
35.08 25.35 2.5583 0 2 1 4
36.03 5.20 2.4924 1 0 1 4
36.39 16.89 2.4690 0 4 0 2
37.21 71.89 2.4166 1 1 1 8
39.99 3.22 2.2543 2 0 0 2
40.54 9.06 2.2250 1 2 1 8
41.07 2.76 2.1978 2 1 0 4
41.71 16.02 2.1655 1 4 0 4
44.16 1.41 2.0507 2 2 0 4
45.65 4.35 1.9871 1 3 1 8
47.77 6.06 1.9041 0 4 1 4
51.61 10.22 1.7711 2 1 1 8
52.14 2.41 1.7541 1 4 1 8
54.23 36.17 1.6913 2 2 1 8
55.17 10.01 1.6648 2 4 0 4
55.86 3.57 1.6460 0 6 0 2
58.43 7.62 1.5795 2 3 1 8
59.74 24.04 1.5480 1 5 1 8
62.06 10.58 1.4955 0 0 2 2
62.52 4.29 1.4856 2 5 0 4
64.01 3.02 1.4546 2 4 1 8
64.63 10.78 1.4420 0 6 1 4
64.85 4.78 1.4378 3 2 0 4
66.55 6.06 1.4050 1 1 2 8
68.65 4.52 1.3671 3 3 0 4
68.82 1.11 1.3642 1 2 2 8
69.86 5.86 1.3465 1 7 0 4
70.07 3.96 1.3429 3 0 1 4
70.81 2.01 1.3306 3 1 1 8
70.89 2.04 1.3293 2 6 0 4
72.52 7.27 1.3034 1 3 2 8
73.02 1.87 1.2958 3 2 1 8
74.12 3.23 1.2791 0 4 2 4
76.43 1.11 1.2462 2 0 2 4
76.63 2.02 1.2434 3 3 1 8
77.58 2.52 1.2306 1 4 2 8
81.61 3.50 1.1797 3 4 1 8
85.00 2.46 1.1411 0 8 1 4
87.01 2.93 1.1199 4 1 0 4
87.73 3.88 1.1125 2 4 2 8
87.93 1.26 1.1105 3 5 1 8
87.93 1.00 1.1105 2 7 1 8
88.29 1.47 1.1069 0 6 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.