Ilvaite
Ghose S, Sen Gupta P K, Schlemper E O
American Mineralogist 70 (1985) 1248-1252
Electron ordering in ilvaite, a mixed-valence iron
silicate: crystal structure refinement at 138 K
Sample: T = 138 K
_database_code_amcsd 0001003
CELL PARAMETERS: 13.0080 8.7840 5.8360 90.000 90.210 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 666.830
Density (g/cm3): 4.071
MAX. ABS. INTENSITY / VOLUME**2: 11.22433456
RIR: 0.898
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.16 100.00 7.2797 1 1 0 4
13.61 32.42 6.5040 2 0 0 2
18.25 10.30 4.8609 0 1 1 4
19.48 8.43 4.5579 -1 1 1 4
19.51 6.26 4.5488 1 1 1 4
21.35 6.69 4.1612 1 2 0 4
22.81 3.67 3.8993 -2 1 1 4
22.87 23.86 3.8881 3 1 0 4
22.87 3.10 3.8879 2 1 1 4
26.29 4.25 3.3900 -1 2 1 4
26.32 2.78 3.3863 1 2 1 4
27.43 25.87 3.2520 4 0 0 2
27.52 3.37 3.2407 -3 1 1 4
27.61 3.41 3.2308 3 1 1 4
28.94 11.79 3.0856 3 2 0 4
30.64 7.83 2.9180 0 0 2 2
31.31 39.42 2.8565 1 3 0 4
31.44 54.10 2.8452 -4 0 1 2
31.54 52.28 2.8363 4 0 1 2
32.80 11.12 2.7307 -3 2 1 4
32.87 11.15 2.7249 3 2 1 4
33.05 53.90 2.7104 -1 1 2 4
33.10 53.47 2.7066 1 1 2 4
33.57 74.79 2.6699 2 3 0 4
34.26 1.58 2.6171 0 3 1 4
34.31 17.95 2.6135 4 2 0 4
34.96 3.77 2.5665 -1 3 1 4
34.98 3.52 2.5649 1 3 1 4
35.18 13.08 2.5511 -2 1 2 4
35.27 12.36 2.5447 2 1 2 4
36.00 10.73 2.4945 5 1 0 4
36.99 21.78 2.4305 0 2 2 4
37.00 19.15 2.4293 -2 3 1 4
37.05 19.45 2.4265 2 3 1 4
37.67 15.12 2.3879 -4 2 1 4
37.76 17.13 2.3827 4 2 1 4
38.51 16.95 2.3375 -3 1 2 4
38.64 18.39 2.3302 3 1 2 4
40.22 1.91 2.2422 -3 3 1 4
40.28 1.37 2.2390 3 3 1 4
41.10 1.34 2.1960 0 4 0 2
41.50 19.54 2.1758 -4 0 2 2
41.66 2.36 2.1680 6 0 0 2
41.66 18.85 2.1679 4 0 2 2
41.71 21.50 2.1654 1 4 0 4
42.59 5.52 2.1229 -3 2 2 4
42.70 5.84 2.1174 3 2 2 4
42.82 29.90 2.1120 -4 1 2 4
42.97 28.69 2.1047 4 1 2 4
43.50 14.52 2.0806 2 4 0 4
46.31 5.57 1.9605 -2 4 1 4
46.35 15.20 1.9591 3 4 0 4
46.35 5.37 1.9591 2 4 1 4
46.58 7.83 1.9497 -4 2 2 4
46.71 1.57 1.9448 5 3 0 4
46.73 1.85 1.9440 6 2 0 4
46.73 7.92 1.9440 4 2 2 4
47.89 15.61 1.8994 -5 1 2 4
47.89 3.97 1.8993 0 1 3 4
48.07 16.15 1.8928 5 1 2 4
49.35 2.23 1.8466 -5 3 1 4
49.36 1.87 1.8462 -6 2 1 4
49.44 1.95 1.8435 5 3 1 4
49.47 2.23 1.8426 6 2 1 4
50.12 2.33 1.8199 4 4 0 4
50.18 2.09 1.8180 7 1 0 4
51.86 1.35 1.7631 -1 2 3 4
52.13 2.09 1.7546 0 4 2 4
52.49 1.44 1.7433 -6 0 2 2
52.53 1.63 1.7420 -3 1 3 4
52.62 7.07 1.7394 -1 4 2 4
52.65 1.04 1.7384 -4 4 1 4
52.65 6.83 1.7384 1 4 2 4
52.68 1.71 1.7374 3 1 3 4
52.69 1.44 1.7372 6 0 2 2
53.55 20.09 1.7114 7 2 0 4
54.07 1.52 1.6960 2 5 0 4
54.55 1.21 1.6822 0 5 1 4
54.70 1.02 1.6781 5 4 0 4
54.91 6.45 1.6721 -4 0 3 2
54.95 7.05 1.6709 -6 3 1 4
55.05 7.19 1.6682 6 3 1 4
55.10 5.48 1.6667 4 0 3 2
55.94 1.01 1.6437 3 2 3 4
56.49 7.70 1.6291 -2 5 1 4
56.52 7.43 1.6282 2 5 1 4
56.54 8.08 1.6277 -3 4 2 4
56.60 2.82 1.6260 8 0 0 2
56.63 7.41 1.6253 3 4 2 4
56.82 11.32 1.6204 -5 3 2 4
56.82 1.46 1.6203 -6 2 2 4
56.98 11.12 1.6163 5 3 2 4
57.01 1.58 1.6154 6 2 2 4
57.28 1.68 1.6085 -1 3 3 4
57.32 2.15 1.6073 1 3 3 4
57.66 1.83 1.5988 8 1 0 4
58.68 4.88 1.5734 -2 3 3 4
58.77 4.70 1.5711 2 3 3 4
59.12 2.94 1.5627 -4 2 3 4
59.30 3.31 1.5583 4 2 3 4
59.93 1.37 1.5434 -8 1 1 4
59.96 2.71 1.5428 6 4 0 4
60.05 1.13 1.5406 8 1 1 4
60.74 20.62 1.5248 8 2 0 4
61.95 21.31 1.4979 -6 3 2 4
62.13 21.77 1.4940 6 3 2 4
63.41 26.99 1.4669 -2 5 2 4
63.47 26.78 1.4657 2 5 2 4
63.55 2.36 1.4640 0 6 0 2
63.79 31.52 1.4590 0 0 4 2
64.00 5.03 1.4548 1 6 0 4
65.44 8.12 1.4261 9 1 0 4
65.63 5.90 1.4226 -8 0 2 2
65.84 4.82 1.4185 7 4 0 4
65.86 5.84 1.4182 8 0 2 2
67.53 4.32 1.3871 3 6 0 4
68.08 1.00 1.3773 -5 3 3 4
68.29 1.15 1.3735 5 3 3 4
68.67 1.52 1.3669 -4 5 2 4
68.78 11.68 1.3649 6 5 0 4
68.78 1.31 1.3649 4 5 2 4
69.66 1.45 1.3498 -3 6 1 4
69.70 1.32 1.3491 3 6 1 4
70.67 1.17 1.3330 -4 0 4 2
70.87 1.45 1.3297 -6 5 1 4
70.89 1.32 1.3293 4 0 4 2
70.95 1.40 1.3284 6 5 1 4
72.50 1.10 1.3038 0 5 3 4
72.76 2.43 1.2998 -6 3 3 4
72.76 2.57 1.2997 -1 3 4 4
72.81 2.71 1.2989 1 3 4 4
73.00 2.32 1.2960 6 3 3 4
73.61 2.01 1.2868 10 1 0 4
73.99 6.12 1.2811 -2 3 4 4
74.10 2.43 1.2796 -8 3 2 4
74.10 6.57 1.2795 2 3 4 4
74.14 3.92 1.2790 -2 5 3 4
74.22 3.84 1.2778 2 5 3 4
74.32 2.34 1.2763 8 3 2 4
74.37 1.51 1.2755 -4 2 4 4
74.59 1.49 1.2723 4 2 4 4
75.35 1.64 1.2613 -5 1 4 4
75.62 1.37 1.2575 5 1 4 4
76.36 6.09 1.2472 10 2 0 4
76.38 1.48 1.2469 -5 6 1 4
76.45 1.58 1.2460 5 6 1 4
77.46 1.17 1.2321 2 7 0 4
78.90 1.68 1.2133 6 6 0 4
79.13 1.67 1.2103 -1 4 4 4
79.18 2.00 1.2096 1 4 4 4
80.33 1.28 1.1952 -2 4 4 4
80.44 1.12 1.1939 2 4 4 4
80.49 1.91 1.1933 8 5 0 4
81.09 3.51 1.1859 -9 3 2 4
81.33 3.55 1.1830 9 3 2 4
82.34 1.91 1.1711 -3 4 4 4
82.37 2.05 1.1707 4 7 0 4
82.50 2.04 1.1692 3 4 4 4
82.81 1.82 1.1656 -10 3 1 4
82.94 1.63 1.1641 10 3 1 4
86.04 1.14 1.1300 -3 6 3 4
86.15 1.26 1.1288 3 6 3 4
87.14 1.52 1.1185 -6 5 3 4
87.37 1.55 1.1161 6 5 3 4
87.77 3.59 1.1121 -7 2 4 4
88.13 3.56 1.1084 7 2 4 4
88.76 2.10 1.1022 -10 3 2 4
89.00 2.95 1.0999 -4 0 5 2
89.03 2.12 1.0996 10 3 2 4
89.27 2.61 1.0973 4 0 5 2
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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.