Ilvaite
Carrozzini B
European Journal of Mineralogy 6 (1994) 465-479
Crystal structure refinements of ilvaite: new relationships
between chemical composition and crystallographic parameters
Sample: Seriphos X-3.2
_database_code_amcsd 0006540
CELL PARAMETERS: 13.0080 8.8020 5.8550 90.000 90.270 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 670.369
Density (g/cm3): 4.008
MAX. ABS. INTENSITY / VOLUME**2: 10.56536489
RIR: 0.858
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.14 100.00 7.2899 1 1 0 4
13.61 30.16 6.5039 2 0 0 2
18.20 8.32 4.8749 0 1 1 4
19.42 8.41 4.5708 -1 1 1 4
19.47 6.01 4.5590 1 1 1 4
21.31 6.53 4.1689 1 2 0 4
22.75 3.21 3.9082 -2 1 1 4
22.84 2.63 3.8935 2 1 1 4
22.86 24.18 3.8896 3 1 0 4
26.22 4.82 3.3984 -1 2 1 4
26.26 3.01 3.3935 1 2 1 4
27.43 26.05 3.2520 4 0 0 2
27.48 3.73 3.2462 -3 1 1 4
27.59 3.69 3.2336 3 1 1 4
28.91 11.95 3.0887 3 2 0 4
30.54 7.83 2.9275 0 0 2 2
31.25 41.13 2.8621 1 3 0 4
31.40 54.76 2.8486 -4 0 1 2
31.53 52.84 2.8372 4 0 1 2
32.74 11.34 2.7357 -3 2 1 4
32.83 11.51 2.7281 3 2 1 4
32.94 55.20 2.7191 -1 1 2 4
33.00 55.10 2.7141 1 1 2 4
33.51 74.70 2.6745 2 3 0 4
34.18 1.08 2.6231 0 3 1 4
34.29 17.71 2.6154 4 2 0 4
34.88 4.16 2.5724 -1 3 1 4
34.91 3.71 2.5703 1 3 1 4
35.07 12.77 2.5587 -2 1 2 4
35.19 11.85 2.5505 2 1 2 4
36.00 10.56 2.4949 5 1 0 4
36.88 20.51 2.4375 0 2 2 4
36.92 18.84 2.4345 -2 3 1 4
36.98 18.65 2.4309 2 3 1 4
37.61 14.48 2.3914 -4 2 1 4
37.72 17.01 2.3846 4 2 1 4
38.41 17.32 2.3438 -3 1 2 4
38.57 18.45 2.3343 3 1 2 4
40.14 2.09 2.2464 -3 3 1 4
40.22 1.43 2.2422 3 3 1 4
41.02 1.26 2.2005 0 4 0 2
41.40 19.80 2.1809 -4 0 2 2
41.61 18.53 2.1707 4 0 2 2
41.63 22.09 2.1697 1 4 0 4
41.66 2.23 2.1680 6 0 0 2
42.47 5.51 2.1283 -3 2 2 4
42.62 6.00 2.1212 3 2 2 4
42.71 29.40 2.1168 -4 1 2 4
42.91 28.19 2.1075 4 1 2 4
43.41 13.86 2.0844 2 4 0 4
46.21 5.39 1.9646 -2 4 1 4
46.25 5.21 1.9628 2 4 1 4
46.27 14.86 1.9623 3 4 0 4
46.47 8.10 1.9541 -4 2 2 4
46.66 8.19 1.9467 4 2 2 4
46.66 1.59 1.9466 5 3 0 4
46.71 2.06 1.9448 6 2 0 4
47.73 3.63 1.9054 0 1 3 4
47.79 15.45 1.9031 -5 1 2 4
48.02 16.40 1.8946 5 1 2 4
49.28 2.38 1.8491 -5 3 1 4
49.31 1.49 1.8480 -6 2 1 4
49.39 1.99 1.8452 5 3 1 4
49.44 1.94 1.8433 6 2 1 4
50.05 2.41 1.8225 4 4 0 4
50.18 2.03 1.8182 7 1 0 4
51.69 1.37 1.7686 -1 2 3 4
51.99 2.43 1.7590 0 4 2 4
52.36 1.44 1.7473 -3 1 3 4
52.40 1.46 1.7462 -6 0 2 2
52.48 7.18 1.7438 -1 4 2 4
52.52 6.71 1.7425 1 4 2 4
52.55 1.51 1.7414 3 1 3 4
52.65 1.54 1.7383 6 0 2 2
53.53 20.13 1.7119 7 2 0 4
53.96 1.57 1.6993 2 5 0 4
54.42 1.17 1.6858 0 5 1 4
54.74 6.45 1.6769 -4 0 3 2
54.88 6.87 1.6728 -6 3 1 4
54.99 5.29 1.6699 4 0 3 2
55.01 7.08 1.6694 6 3 1 4
55.80 1.06 1.6474 3 2 3 4
56.36 7.53 1.6325 -2 5 1 4
56.39 8.13 1.6316 -3 4 2 4
56.40 7.12 1.6314 2 5 1 4
56.51 7.42 1.6284 3 4 2 4
56.60 2.81 1.6260 8 0 0 2
56.70 11.50 1.6236 -5 3 2 4
56.71 1.32 1.6231 -6 2 2 4
56.90 11.23 1.6183 5 3 2 4
56.96 1.55 1.6168 6 2 2 4
57.09 1.63 1.6132 -1 3 3 4
57.15 2.19 1.6117 1 3 3 4
57.65 1.64 1.5989 8 1 0 4
58.49 4.83 1.5780 -2 3 3 4
58.61 4.52 1.5751 2 3 3 4
58.94 2.58 1.5670 -4 2 3 4
59.18 2.98 1.5613 4 2 3 4
59.89 2.65 1.5444 6 4 0 4
59.90 1.21 1.5443 -8 1 1 4
60.72 20.05 1.5252 8 2 0 4
61.83 20.70 1.5005 -6 3 2 4
62.06 21.00 1.4955 6 3 2 4
63.24 26.30 1.4704 -2 5 2 4
63.32 26.13 1.4688 2 5 2 4
63.40 2.19 1.4670 0 6 0 2
63.56 31.16 1.4637 0 0 4 2
63.85 5.03 1.4578 1 6 0 4
65.44 7.96 1.4262 9 1 0 4
65.54 5.66 1.4243 -8 0 2 2
65.78 4.69 1.4197 7 4 0 4
65.84 5.51 1.4186 8 0 2 2
67.39 4.20 1.3896 3 6 0 4
68.16 1.19 1.3758 5 3 3 4
68.50 1.41 1.3698 -4 5 2 4
68.64 1.23 1.3673 4 5 2 4
68.68 11.08 1.3666 6 5 0 4
69.50 1.48 1.3525 -3 6 1 4
69.55 1.32 1.3516 3 6 1 4
70.42 1.13 1.3371 -4 0 4 2
70.70 1.33 1.3324 4 0 4 2
70.75 1.39 1.3317 -6 5 1 4
70.85 1.33 1.3300 6 5 1 4
72.50 2.55 1.3037 -1 3 4 4
72.57 2.43 1.3027 -6 3 3 4
72.57 2.78 1.3026 1 3 4 4
72.88 2.31 1.2978 6 3 3 4
73.61 1.95 1.2868 10 1 0 4
73.73 5.84 1.2851 -2 3 4 4
73.87 6.42 1.2830 2 3 4 4
73.91 3.73 1.2823 -2 5 3 4
73.98 2.27 1.2813 -8 3 2 4
74.01 3.64 1.2808 2 5 3 4
74.11 1.52 1.2794 -4 2 4 4
74.26 2.19 1.2772 8 3 2 4
74.39 1.41 1.2752 4 2 4 4
75.10 1.65 1.2650 -5 1 4 4
75.44 1.32 1.2600 5 1 4 4
76.22 1.40 1.2491 -5 6 1 4
76.31 1.53 1.2479 5 6 1 4
76.34 5.60 1.2474 10 2 0 4
77.28 1.06 1.2346 2 7 0 4
78.77 1.56 1.2150 6 6 0 4
78.85 1.65 1.2139 -1 4 4 4
78.92 1.92 1.2130 1 4 4 4
80.05 1.16 1.1987 -2 4 4 4
80.39 1.85 1.1944 8 5 0 4
80.98 3.42 1.1873 -9 3 2 4
81.28 3.44 1.1836 9 3 2 4
82.05 1.78 1.1745 -3 4 4 4
82.19 1.88 1.1728 4 7 0 4
82.26 1.99 1.1721 3 4 4 4
82.75 1.72 1.1663 -10 3 1 4
82.92 1.45 1.1644 10 3 1 4
85.77 1.08 1.1328 -3 6 3 4
85.92 1.20 1.1312 3 6 3 4
86.90 1.34 1.1210 -6 5 3 4
87.20 1.43 1.1179 6 5 3 4
87.49 3.44 1.1149 -7 2 4 4
87.96 3.41 1.1101 7 2 4 4
88.64 2.76 1.1034 -4 0 5 2
88.64 1.96 1.1034 -10 3 2 4
88.98 2.44 1.1001 4 0 5 2
88.98 1.96 1.1001 10 3 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.