Coquimbite
Fang J H, Robinson P D
American Mineralogist 55 (1970) 1534-1540
Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The
crystal structure of coquimbite
_database_code_amcsd 0000211
CELL PARAMETERS: 10.9220 10.9220 17.0840 90.000 90.000 120.000
SPACE GROUP: P-31c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1764.918
Density (g/cm3): 2.139
MAX. ABS. INTENSITY / VOLUME**2: 11.93369492
RIR: 1.816
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.35 46.11 9.4587 1 0 0 6
10.36 26.79 8.5420 0 0 2 2
10.69 100.00 8.2751 1 0 1 12
13.97 10.66 6.3395 1 0 2 12
16.23 43.13 5.4610 1 1 0 6
18.76 15.63 4.7294 2 0 0 6
19.29 6.33 4.6011 2 -1 2 6
19.29 35.18 4.6011 1 1 2 6
19.48 7.52 4.5579 2 0 1 12
20.80 2.43 4.2710 0 0 4 2
22.85 2.46 3.8926 1 0 4 12
24.47 33.73 3.6383 2 0 3 12
24.91 5.19 3.5751 2 1 0 12
25.45 20.52 3.4993 3 -1 1 12
26.49 43.99 3.3643 1 1 4 6
26.49 8.34 3.3643 2 -1 4 6
27.04 2.55 3.2979 2 1 2 12
27.76 4.77 3.2136 1 0 5 12
28.15 1.50 3.1697 2 0 4 12
28.79 14.64 3.1005 3 0 1 12
29.50 23.46 3.0278 3 -1 3 12
30.22 1.81 2.9579 3 0 2 12
31.42 1.30 2.8473 0 0 6 2
32.32 13.88 2.7696 2 0 5 12
32.46 36.01 2.7584 3 0 3 12
32.67 6.10 2.7414 2 1 4 12
32.67 6.68 2.7414 3 -1 4 12
34.48 1.08 2.6009 4 -2 2 6
35.39 13.57 2.5366 3 0 4 12
35.56 1.12 2.5248 1 1 6 6
35.56 3.79 2.5248 2 -1 6 6
35.81 1.47 2.5078 3 1 2 12
36.37 1.74 2.4701 3 -1 5 12
37.76 3.27 2.3827 3 1 3 12
37.76 2.59 2.3827 4 -1 3 12
38.05 2.94 2.3647 4 0 0 6
38.43 1.47 2.3424 4 0 1 12
38.87 3.77 2.3171 3 0 5 12
39.16 8.42 2.3005 4 -2 4 6
41.62 1.63 2.1700 3 2 0 12
41.97 1.40 2.1527 3 2 1 12
43.01 1.08 2.1032 5 -2 2 12
43.49 4.49 2.0808 4 -1 5 12
43.86 2.45 2.0641 4 1 0 12
44.20 1.40 2.0492 5 -1 1 12
44.97 1.93 2.0157 3 -1 7 12
45.19 1.54 2.0063 5 -1 2 12
46.06 6.43 1.9708 4 -2 6 6
46.67 2.35 1.9463 2 0 8 12
46.82 7.40 1.9405 4 1 3 12
48.94 1.62 1.8611 1 0 9 12
49.02 9.56 1.8584 5 -1 4 12
49.02 3.02 1.8584 4 1 4 12
49.73 1.02 1.8333 3 -1 8 12
50.11 4.38 1.8203 3 3 0 6
51.32 3.24 1.7804 6 -3 2 6
51.32 2.63 1.7804 3 3 2 6
51.40 1.41 1.7778 4 2 1 12
51.70 4.85 1.7681 3 0 8 12
51.74 1.58 1.7667 5 -1 5 12
51.74 5.42 1.7667 4 1 5 12
52.94 2.39 1.7297 5 0 4 12
53.06 2.50 1.7259 5 -2 6 12
53.97 1.22 1.6988 5 1 0 12
53.99 1.76 1.6983 4 0 7 12
54.55 9.59 1.6821 2 2 8 6
54.55 2.50 1.6821 4 -2 8 6
54.75 1.26 1.6766 3 -1 9 12
54.82 1.02 1.6746 6 -3 4 6
54.94 1.19 1.6712 5 -1 6 12
54.94 2.24 1.6712 4 1 6 12
55.12 1.18 1.6662 5 1 2 12
56.77 1.98 1.6217 3 2 7 12
58.55 1.11 1.5765 6 0 0 6
58.57 2.77 1.5760 5 -1 7 12
60.35 1.07 1.5337 6 -3 6 6
61.19 2.20 1.5146 5 2 0 12
61.76 1.34 1.5021 3 0 10 12
62.25 2.63 1.4913 7 -2 2 12
62.59 3.25 1.4841 5 -1 8 12
62.59 2.76 1.4841 4 1 8 12
62.83 1.76 1.4789 6 0 4 12
64.87 1.19 1.4373 6 1 1 12
65.37 1.54 1.4275 5 2 4 12
66.98 1.57 1.3972 4 1 9 12
67.63 1.81 1.3853 6 -3 8 6
68.06 1.44 1.3776 1 1 12 6
68.76 1.33 1.3652 4 4 0 6
69.76 2.23 1.3481 4 4 2 6
70.92 1.08 1.3289 7 -1 5 12
71.71 1.54 1.3161 5 -1 10 12
71.80 1.09 1.3147 8 -3 3 12
72.71 1.78 1.3004 4 4 4 6
72.90 1.78 1.2975 3 0 12 12
76.81 1.67 1.2410 5 -1 11 12
79.77 1.45 1.2022 7 1 4 12
81.90 1.53 1.1763 7 1 5 12
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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.