Coquimbite
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Note: sample vulc1
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
_database_code_amcsd 0006336
CELL PARAMETERS: 10.9100 10.9100 17.0625 90.000 90.000 120.000
SPACE GROUP: P-31c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1758.826
Density (g/cm3): 2.068
MAX. ABS. INTENSITY / VOLUME**2: 12.78949140
RIR: 2.014
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.36 46.49 9.4483 1 0 0 6
10.37 21.01 8.5312 0 0 2 2
10.70 100.00 8.2657 1 0 1 12
13.99 7.19 6.3320 1 0 2 12
16.25 32.77 5.4550 1 1 0 6
18.21 1.23 4.8728 1 0 3 12
18.78 16.89 4.7242 2 0 0 6
19.31 29.59 4.5958 1 1 2 6
19.31 3.76 4.5958 2 -1 2 6
19.50 6.97 4.5529 2 0 1 12
20.82 2.76 4.2656 0 0 4 2
22.87 2.97 3.8878 1 0 4 12
24.50 29.86 3.6340 2 0 3 12
24.93 3.84 3.5711 2 1 0 12
25.48 16.18 3.4954 3 -1 1 12
26.53 40.90 3.3602 1 1 4 6
26.53 8.23 3.3602 2 -1 4 6
27.07 2.40 3.2942 2 1 2 12
27.80 2.76 3.2096 1 0 5 12
28.19 1.02 3.1660 2 0 4 12
28.83 11.76 3.0971 3 0 1 12
29.54 18.63 3.0244 3 -1 3 12
30.25 1.95 2.9545 3 0 2 12
32.36 12.54 2.7663 2 0 5 12
32.50 26.73 2.7552 3 0 3 12
32.70 5.35 2.7382 2 1 4 12
32.70 7.65 2.7382 3 -1 4 12
35.43 13.19 2.5337 3 0 4 12
35.60 3.44 2.5217 2 -1 6 6
35.85 1.76 2.5050 3 1 2 12
37.80 3.24 2.3800 4 -1 3 12
37.80 1.66 2.3800 3 1 3 12
38.10 1.55 2.3621 4 0 0 6
38.91 1.89 2.3144 3 0 5 12
39.20 8.63 2.2979 4 -2 4 6
41.67 1.44 2.1676 3 2 0 12
42.02 1.19 2.1503 3 2 1 12
43.54 2.92 2.0784 4 -1 5 12
43.91 2.77 2.0618 4 1 0 12
44.25 1.00 2.0469 5 -1 1 12
45.03 1.18 2.0132 3 -1 7 12
45.67 1.12 1.9864 2 -1 8 6
46.11 4.02 1.9684 4 -2 6 6
46.11 1.01 1.9684 2 2 6 6
46.73 1.88 1.9439 2 0 8 12
46.87 4.10 1.9384 4 1 3 12
49.08 7.58 1.8563 5 -1 4 12
49.08 2.83 1.8563 4 1 4 12
50.17 4.19 1.8183 3 3 0 6
51.38 2.35 1.7784 6 -3 2 6
51.38 1.55 1.7784 3 3 2 6
51.46 1.03 1.7759 4 2 1 12
51.77 3.83 1.7660 3 0 8 12
51.81 3.46 1.7647 4 1 5 12
53.00 1.94 1.7277 5 0 4 12
53.13 1.62 1.7239 5 -2 6 12
54.06 1.31 1.6963 4 0 7 12
54.63 7.21 1.6801 2 2 8 6
54.63 2.31 1.6801 4 -2 8 6
54.82 1.21 1.6745 3 -1 9 12
55.01 1.57 1.6692 4 1 6 12
56.84 1.63 1.6198 3 2 7 12
58.62 1.39 1.5747 6 0 0 6
58.65 1.96 1.5742 5 -1 7 12
61.27 2.02 1.5129 5 2 0 12
61.84 1.08 1.5002 3 0 10 12
62.33 1.74 1.4897 7 -2 2 12
62.67 2.83 1.4824 5 -1 8 12
62.67 2.54 1.4824 4 1 8 12
62.91 1.74 1.4773 6 0 4 12
65.46 1.42 1.4259 7 -2 4 12
65.46 1.50 1.4259 5 2 4 12
67.72 1.59 1.3837 6 -3 8 6
68.15 1.21 1.3759 1 1 12 6
69.85 1.62 1.3467 4 4 2 6
71.81 1.12 1.3145 5 -1 10 12
72.81 1.75 1.2990 4 4 4 6
73.01 1.86 1.2959 3 0 12 12
79.88 1.20 1.2008 7 1 4 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.