Ilvaite
Ghose S, Hewat A W, Marezio M
Physics and Chemistry of Minerals 11 (1984) 67-74
A neutron powder diffraction study of the crystal and
magnetic structures of ilvaite from 305 K to 5 K - a mixed
valence iron silicate with an electronic transition
Sample: T = 150 K
_database_code_amcsd 0007363
CELL PARAMETERS: 13.0244 8.8006 5.8445 90.000 90.233 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 669.906
Density (g/cm3): 4.051
MAX. ABS. INTENSITY / VOLUME**2: 11.68654119
RIR: 0.939
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.14 100.00 7.2920 1 1 0 4
13.60 31.11 6.5121 2 0 0 2
18.22 8.96 4.8686 0 1 1 4
19.44 8.44 4.5655 -1 1 1 4
19.49 4.78 4.5554 1 1 1 4
21.31 5.83 4.1688 1 2 0 4
22.77 3.61 3.9057 -2 1 1 4
22.84 23.67 3.8935 3 1 0 4
22.84 3.25 3.8930 2 1 1 4
26.24 3.47 3.3960 -1 2 1 4
26.28 3.14 3.3918 1 2 1 4
27.39 25.72 3.2561 4 0 0 2
27.48 1.57 3.2457 -3 1 1 4
27.57 3.27 3.2348 3 1 1 4
28.89 9.65 3.0905 3 2 0 4
30.59 6.55 2.9222 0 0 2 2
31.25 35.24 2.8618 1 3 0 4
31.40 48.67 2.8494 -4 0 1 2
31.51 45.28 2.8395 4 0 1 2
32.74 10.71 2.7353 -3 2 1 4
32.82 9.76 2.7288 3 2 1 4
33.00 48.55 2.7147 -1 1 2 4
33.05 46.47 2.7104 1 1 2 4
33.50 69.03 2.6747 2 3 0 4
34.20 2.06 2.6218 0 3 1 4
34.26 15.37 2.6174 4 2 0 4
34.90 2.86 2.5711 -1 3 1 4
34.92 3.93 2.5693 1 3 1 4
35.12 12.82 2.5551 -2 1 2 4
35.22 12.17 2.5480 2 1 2 4
35.96 9.24 2.4977 5 1 0 4
36.93 21.25 2.4343 0 2 2 4
36.94 18.13 2.4336 -2 3 1 4
36.98 16.05 2.4306 2 3 1 4
37.61 13.92 2.3917 -4 2 1 4
37.70 15.84 2.3859 4 2 1 4
38.45 14.54 2.3413 -3 1 2 4
38.59 17.23 2.3331 3 1 2 4
39.28 1.02 2.2936 5 1 1 4
40.15 1.06 2.2461 -3 3 1 4
41.02 1.76 2.2002 0 4 0 2
41.43 17.61 2.1792 -4 0 2 2
41.60 2.13 2.1707 6 0 0 2
41.61 16.73 2.1704 4 0 2 2
41.63 21.70 2.1694 1 4 0 4
42.51 5.67 2.1264 -3 2 2 4
42.64 5.57 2.1202 3 2 2 4
42.75 25.70 2.1153 -4 1 2 4
42.92 23.76 2.1073 4 1 2 4
43.41 12.06 2.0844 2 4 0 4
46.22 5.05 1.9641 -2 4 1 4
46.26 14.05 1.9625 3 4 0 4
46.26 3.92 1.9625 2 4 1 4
46.50 7.50 1.9529 -4 2 2 4
46.63 1.53 1.9478 5 3 0 4
46.66 1.54 1.9467 6 2 0 4
46.66 7.81 1.9465 4 2 2 4
47.81 13.91 1.9023 -5 1 2 4
47.82 3.26 1.9021 0 1 3 4
48.01 15.40 1.8950 5 1 2 4
49.27 1.14 1.8496 -5 3 1 4
49.28 2.17 1.8490 -6 2 1 4
49.36 1.72 1.8462 5 3 1 4
49.40 2.08 1.8449 6 2 1 4
50.03 1.84 1.8230 4 4 0 4
50.11 1.78 1.8204 7 1 0 4
51.77 1.42 1.7658 -1 2 3 4
52.03 1.09 1.7577 0 4 2 4
52.41 1.23 1.7460 -6 0 2 2
52.44 1.28 1.7448 -3 1 3 4
52.52 5.74 1.7424 -1 4 2 4
52.55 1.02 1.7414 -4 4 1 4
52.56 4.96 1.7413 1 4 2 4
52.61 1.60 1.7397 3 1 3 4
52.63 1.25 1.7392 4 4 1 4
53.47 16.80 1.7137 7 2 0 4
53.96 1.49 1.6992 2 5 0 4
54.44 1.38 1.6853 0 5 1 4
54.81 5.01 1.6748 -4 0 3 2
54.86 6.35 1.6735 -6 3 1 4
54.97 5.29 1.6705 6 3 1 4
55.03 4.47 1.6688 4 0 3 2
56.38 6.41 1.6321 -2 5 1 4
56.41 6.22 1.6311 2 5 1 4
56.43 6.62 1.6306 -3 4 2 4
56.53 1.75 1.6280 8 0 0 2
56.53 6.44 1.6278 3 4 2 4
56.72 9.47 1.6230 -5 3 2 4
56.72 1.19 1.6229 -6 2 2 4
56.89 8.72 1.6185 5 3 2 4
56.93 1.27 1.6174 6 2 2 4
57.18 1.58 1.6111 -1 3 3 4
57.23 1.52 1.6098 1 3 3 4
57.57 1.54 1.6009 8 1 0 4
58.57 3.77 1.5760 -2 3 3 4
58.67 3.59 1.5735 2 3 3 4
59.01 2.76 1.5652 -4 2 3 4
59.22 3.29 1.5603 4 2 3 4
59.84 1.22 1.5456 -8 1 1 4
59.85 2.04 1.5452 6 4 0 4
60.65 17.71 1.5269 8 2 0 4
61.84 17.16 1.5003 -6 3 2 4
62.04 17.82 1.4960 6 3 2 4
63.28 22.05 1.4696 -2 5 2 4
63.35 22.46 1.4682 2 5 2 4
63.42 2.09 1.4668 0 6 0 2
63.69 24.69 1.4611 0 0 4 2
63.86 3.82 1.4576 1 6 0 4
63.97 1.07 1.4554 5 4 2 4
65.35 6.96 1.4280 9 1 0 4
65.52 4.76 1.4247 -8 0 2 2
65.73 3.78 1.4207 7 4 0 4
65.78 4.86 1.4198 8 0 2 2
67.39 3.44 1.3896 3 6 0 4
68.53 1.53 1.3693 -4 5 2 4
68.65 9.63 1.3672 6 5 0 4
68.65 1.41 1.3671 4 5 2 4
70.73 1.11 1.3320 -6 5 1 4
70.79 1.38 1.3310 4 0 4 2
70.82 1.32 1.3305 6 5 1 4
72.35 1.24 1.3060 0 5 3 4
72.62 1.43 1.3019 -6 3 3 4
72.63 2.08 1.3018 -1 3 4 4
72.69 1.83 1.3009 1 3 4 4
72.89 1.81 1.2977 6 3 3 4
73.50 1.79 1.2884 10 1 0 4
73.85 4.80 1.2832 -2 3 4 4
73.96 2.02 1.2815 -8 3 2 4
73.97 5.46 1.2814 2 3 4 4
73.99 3.08 1.2812 -2 5 3 4
74.08 2.76 1.2799 2 5 3 4
74.21 2.02 1.2780 8 3 2 4
74.23 1.36 1.2776 -4 2 4 4
74.33 1.01 1.2761 7 4 2 4
74.47 1.13 1.2740 4 2 4 4
75.21 1.35 1.2633 -5 1 4 4
75.51 1.03 1.2590 5 1 4 4
76.24 5.08 1.2489 10 2 0 4
77.29 1.48 1.2344 2 7 0 4
78.74 1.30 1.2153 6 6 0 4
78.98 1.37 1.2123 -1 4 4 4
79.04 1.79 1.2115 1 4 4 4
80.34 1.74 1.1952 8 5 0 4
80.94 2.41 1.1877 -9 3 2 4
81.21 2.57 1.1845 9 3 2 4
82.18 1.56 1.1730 -3 4 4 4
82.19 1.51 1.1728 4 7 0 4
82.35 1.74 1.1709 3 4 4 4
82.67 1.01 1.1673 -10 3 1 4
82.81 1.18 1.1656 10 3 1 4
86.95 1.18 1.1204 -6 5 3 4
87.21 1.18 1.1177 6 5 3 4
87.59 2.37 1.1139 -7 2 4 4
88.00 2.34 1.1098 7 2 4 4
88.60 1.62 1.1039 -10 3 2 4
88.83 1.94 1.1016 -4 0 5 2
88.89 1.68 1.1010 10 3 2 4
89.12 1.69 1.0987 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.