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 = 305 K
_database_code_amcsd 0007364
CELL PARAMETERS: 13.0207 8.8121 5.8609 90.000 90.249 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 672.472
Density (g/cm3): 4.035
MAX. ABS. INTENSITY / VOLUME**2: 10.78255631
RIR: 0.870
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.13 100.00 7.2979 1 1 0 4
13.60 28.59 6.5103 2 0 0 2
18.18 9.56 4.8801 0 1 1 4
19.40 8.44 4.5751 -1 1 1 4
19.45 5.24 4.5642 1 1 1 4
21.29 6.95 4.1736 1 2 0 4
22.73 3.44 3.9116 -2 1 1 4
22.81 2.73 3.8981 2 1 1 4
22.84 25.43 3.8936 3 1 0 4
26.20 4.77 3.4019 -1 2 1 4
26.23 2.41 3.3974 1 2 1 4
27.40 25.01 3.2551 4 0 0 2
27.45 3.14 3.2490 -3 1 1 4
27.55 4.14 3.2373 3 1 1 4
28.88 13.24 3.0920 3 2 0 4
30.51 7.05 2.9304 0 0 2 2
31.22 39.85 2.8654 1 3 0 4
31.38 53.65 2.8510 -4 0 1 2
31.50 49.98 2.8405 4 0 1 2
32.70 10.96 2.7383 -3 2 1 4
32.79 8.80 2.7313 3 2 1 4
32.91 52.08 2.7217 -1 1 2 4
32.97 52.12 2.7171 1 1 2 4
33.47 74.19 2.6775 2 3 0 4
34.14 2.15 2.6260 0 3 1 4
34.25 17.20 2.6181 4 2 0 4
34.84 4.54 2.5752 -1 3 1 4
34.87 3.41 2.5732 1 3 1 4
35.04 13.55 2.5610 -2 1 2 4
35.15 13.23 2.5534 2 1 2 4
35.96 10.44 2.4974 5 1 0 4
36.84 22.66 2.4400 0 2 2 4
36.88 17.41 2.4370 -2 3 1 4
36.93 17.42 2.4337 2 3 1 4
37.58 14.74 2.3936 -4 2 1 4
37.68 17.71 2.3874 4 2 1 4
38.37 15.48 2.3458 -3 1 2 4
38.52 18.49 2.3370 3 1 2 4
40.10 2.86 2.2487 -3 3 1 4
40.17 1.44 2.2448 3 3 1 4
40.97 1.39 2.2030 0 4 0 2
41.37 20.91 2.1826 -4 0 2 2
41.55 17.53 2.1732 4 0 2 2
41.58 22.43 2.1722 1 4 0 4
41.62 3.09 2.1701 6 0 0 2
42.43 5.27 2.1302 -3 2 2 4
42.57 5.48 2.1237 3 2 2 4
42.68 28.24 2.1186 -4 1 2 4
42.86 26.47 2.1100 4 1 2 4
43.36 13.32 2.0868 2 4 0 4
46.15 5.01 1.9668 -2 4 1 4
46.20 4.98 1.9650 2 4 1 4
46.21 13.52 1.9644 3 4 0 4
46.43 7.78 1.9558 -4 2 2 4
46.60 8.02 1.9490 4 2 2 4
46.61 1.35 1.9486 5 3 0 4
46.66 1.60 1.9468 6 2 0 4
47.68 4.11 1.9073 0 1 3 4
47.75 14.38 1.9047 -5 1 2 4
47.96 16.14 1.8969 5 1 2 4
49.23 2.08 1.8509 -5 3 1 4
49.26 1.78 1.8497 -6 2 1 4
49.33 1.41 1.8473 5 3 1 4
49.39 1.99 1.8454 6 2 1 4
49.99 2.37 1.8245 4 4 0 4
50.12 2.48 1.8200 7 1 0 4
51.63 1.26 1.7703 -1 2 3 4
51.93 1.34 1.7609 0 4 2 4
52.31 1.61 1.7489 -3 1 3 4
52.42 6.69 1.7456 -1 4 2 4
52.45 6.00 1.7444 1 4 2 4
52.49 1.77 1.7434 3 1 3 4
52.49 1.55 1.7432 -4 4 1 4
52.59 1.09 1.7404 6 0 2 2
53.47 17.25 1.7136 7 2 0 4
53.89 1.68 1.7012 2 5 0 4
54.36 1.15 1.6878 0 5 1 4
54.56 1.01 1.6819 5 4 0 4
54.69 5.34 1.6783 -4 0 3 2
54.83 5.49 1.6744 -6 3 1 4
54.92 4.78 1.6719 4 0 3 2
54.94 6.54 1.6712 6 3 1 4
56.29 6.78 1.6343 -2 5 1 4
56.33 6.34 1.6333 2 5 1 4
56.33 8.42 1.6332 -3 4 2 4
56.44 7.98 1.6302 3 4 2 4
56.54 2.05 1.6276 8 0 0 2
56.64 10.54 1.6251 -5 3 2 4
56.66 1.39 1.6245 -6 2 2 4
56.83 9.82 1.6202 5 3 2 4
56.88 1.50 1.6187 6 2 2 4
57.03 1.54 1.6149 -1 3 3 4
57.09 2.18 1.6134 1 3 3 4
57.59 1.91 1.6005 8 1 0 4
58.43 4.74 1.5795 -2 3 3 4
58.54 2.99 1.5768 2 3 3 4
58.88 2.77 1.5684 -4 2 3 4
59.10 3.13 1.5631 4 2 3 4
59.82 2.07 1.5460 6 4 0 4
59.84 1.27 1.5456 -8 1 1 4
59.98 1.13 1.5423 8 1 1 4
60.66 18.74 1.5267 8 2 0 4
61.77 18.64 1.5019 -6 3 2 4
61.98 18.44 1.4973 6 3 2 4
63.17 22.47 1.4720 -2 5 2 4
63.24 23.76 1.4705 2 5 2 4
63.32 1.88 1.4687 0 6 0 2
63.49 26.44 1.4652 0 0 4 2
63.77 4.43 1.4594 1 6 0 4
65.37 7.09 1.4276 9 1 0 4
65.48 5.33 1.4255 -8 0 2 2
65.70 4.30 1.4212 7 4 0 4
65.75 5.23 1.4202 8 0 2 2
67.30 3.80 1.3912 3 6 0 4
68.07 1.13 1.3774 5 3 3 4
68.31 1.00 1.3731 -3 1 4 4
68.42 1.43 1.3712 -4 5 2 4
68.55 1.29 1.3689 4 5 2 4
68.60 10.73 1.3681 6 5 0 4
69.41 1.15 1.3540 -3 6 1 4
70.61 1.70 1.3339 4 0 4 2
70.76 1.17 1.3315 6 5 1 4
72.19 1.01 1.3086 0 5 3 4
72.42 2.09 1.3051 -1 3 4 4
72.48 2.38 1.3040 1 3 4 4
72.49 1.56 1.3039 -6 3 3 4
72.78 1.81 1.2994 6 3 3 4
73.53 1.94 1.2881 10 1 0 4
73.64 5.03 1.2863 -2 3 4 4
73.69 1.12 1.2856 -9 1 2 4
73.77 6.12 1.2844 2 3 4 4
73.82 3.41 1.2837 -2 5 3 4
73.90 1.66 1.2824 -8 3 2 4
73.92 2.68 1.2822 2 5 3 4
74.03 1.72 1.2805 -4 2 4 4
74.16 1.72 1.2786 8 3 2 4
74.26 1.10 1.2771 7 4 2 4
74.29 1.14 1.2767 4 2 4 4
75.02 1.66 1.2661 -5 1 4 4
75.34 1.23 1.2615 5 1 4 4
76.13 1.17 1.2504 -5 6 1 4
76.21 1.15 1.2493 5 6 1 4
76.25 4.94 1.2487 10 2 0 4
77.18 1.36 1.2360 2 7 0 4
78.66 1.48 1.2163 6 6 0 4
78.76 1.41 1.2151 -1 4 4 4
78.82 1.91 1.2143 1 4 4 4
80.29 1.45 1.1957 8 5 0 4
80.89 2.54 1.1884 -9 3 2 4
81.17 2.72 1.1850 9 3 2 4
81.96 1.46 1.1756 -3 4 4 4
82.08 1.62 1.1741 4 7 0 4
82.14 1.71 1.1734 3 4 4 4
82.65 1.25 1.1674 -10 3 1 4
82.81 1.18 1.1656 10 3 1 4
86.79 1.01 1.1221 -6 5 3 4
87.07 1.19 1.1192 6 5 3 4
87.40 2.46 1.1158 -7 2 4 4
87.84 2.48 1.1114 7 2 4 4
88.54 2.10 1.1044 -4 0 5 2
88.54 1.57 1.1044 -10 3 2 4
88.85 1.84 1.1013 4 0 5 2
88.85 1.82 1.1013 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.