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 = 5 K
_database_code_amcsd 0007361
CELL PARAMETERS: 13.0229 8.7977 5.8428 90.000 90.234 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 669.413
Density (g/cm3): 4.055
MAX. ABS. INTENSITY / VOLUME**2: 11.64552922
RIR: 0.935
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.14 100.00 7.2901 1 1 0 4
13.60 31.90 6.5114 2 0 0 2
18.23 9.23 4.8672 0 1 1 4
19.45 9.93 4.5643 -1 1 1 4
19.49 4.01 4.5541 1 1 1 4
20.46 1.46 4.3399 2 0 1 2
21.32 6.25 4.1675 1 2 0 4
22.77 3.94 3.9048 -2 1 1 4
22.84 25.77 3.8928 3 1 0 4
22.85 3.26 3.8921 2 1 1 4
26.25 2.57 3.3950 -1 2 1 4
26.28 5.10 3.3908 1 2 1 4
27.39 24.74 3.2557 4 0 0 2
27.49 1.28 3.2451 -3 1 1 4
27.58 3.80 3.2342 3 1 1 4
28.90 10.75 3.0898 3 2 0 4
30.60 5.91 2.9214 0 0 2 2
31.26 35.30 2.8609 1 3 0 4
31.40 46.86 2.8489 -4 0 1 2
31.51 46.99 2.8391 4 0 1 2
32.75 11.16 2.7347 -3 2 1 4
32.83 10.71 2.7281 3 2 1 4
33.01 53.78 2.7139 -1 1 2 4
33.06 43.14 2.7096 1 1 2 4
33.51 69.38 2.6739 2 3 0 4
33.68 1.22 2.6613 2 0 2 2
34.21 1.51 2.6210 0 3 1 4
34.27 16.40 2.6169 4 2 0 4
34.91 2.74 2.5703 -1 3 1 4
34.93 4.85 2.5685 1 3 1 4
35.13 13.13 2.5545 -2 1 2 4
35.23 13.58 2.5473 2 1 2 4
35.96 10.63 2.4974 5 1 0 4
36.94 20.43 2.4336 0 2 2 4
36.95 21.35 2.4329 -2 3 1 4
37.00 14.58 2.4298 2 3 1 4
37.62 14.55 2.3912 -4 2 1 4
37.71 14.00 2.3854 4 2 1 4
38.46 15.80 2.3407 -3 1 2 4
38.60 16.76 2.3325 3 1 2 4
40.23 1.84 2.2419 3 3 1 4
41.04 1.53 2.1994 0 4 0 2
41.44 19.28 2.1788 -4 0 2 2
41.61 1.72 2.1705 6 0 0 2
41.62 17.71 2.1699 4 0 2 2
41.64 21.10 2.1687 1 4 0 4
42.52 5.33 2.1258 -3 2 2 4
42.65 5.02 2.1197 3 2 2 4
42.76 27.67 2.1149 -4 1 2 4
42.93 24.27 2.1068 4 1 2 4
43.43 12.15 2.0838 2 4 0 4
45.83 1.10 1.9798 6 1 1 4
46.24 6.71 1.9635 -2 4 1 4
46.27 14.46 1.9620 3 4 0 4
46.28 3.41 1.9619 2 4 1 4
46.51 7.24 1.9524 -4 2 2 4
46.64 1.22 1.9474 5 3 0 4
46.67 1.53 1.9464 6 2 0 4
46.67 8.16 1.9460 4 2 2 4
47.82 13.01 1.9020 -5 1 2 4
47.83 3.06 1.9015 0 1 3 4
48.02 16.44 1.8946 5 1 2 4
49.29 1.85 1.8487 -6 2 1 4
49.37 2.10 1.8458 5 3 1 4
49.41 1.56 1.8446 6 2 1 4
49.91 1.05 1.8273 -2 1 3 4
50.05 2.16 1.8225 4 4 0 4
50.12 1.67 1.8201 7 1 0 4
51.79 1.10 1.7653 -1 2 3 4
52.05 1.17 1.7571 0 4 2 4
52.41 2.25 1.7457 -6 0 2 2
52.54 6.80 1.7419 -1 4 2 4
52.57 5.12 1.7408 1 4 2 4
52.62 2.18 1.7392 3 1 3 4
52.64 1.80 1.7387 4 4 1 4
53.48 17.96 1.7135 7 2 0 4
53.98 1.72 1.6986 2 5 0 4
54.46 1.58 1.6848 0 5 1 4
54.83 4.41 1.6744 -4 0 3 2
54.87 6.37 1.6732 -6 3 1 4
54.98 5.16 1.6702 6 3 1 4
55.04 4.92 1.6684 4 0 3 2
55.72 1.09 1.6498 -3 2 3 4
56.39 6.97 1.6316 -2 5 1 4
56.43 6.22 1.6306 2 5 1 4
56.45 7.02 1.6301 -3 4 2 4
56.53 1.70 1.6278 8 0 0 2
56.55 6.89 1.6274 3 4 2 4
56.73 10.71 1.6227 -5 3 2 4
56.91 9.21 1.6181 5 3 2 4
56.94 1.86 1.6171 6 2 2 4
57.19 2.18 1.6106 -1 3 3 4
57.58 1.38 1.6007 8 1 0 4
58.59 3.34 1.5755 -2 3 3 4
58.69 4.26 1.5730 2 3 3 4
59.03 1.97 1.5648 -4 2 3 4
59.23 3.50 1.5599 4 2 3 4
59.85 1.39 1.5454 -8 1 1 4
59.87 2.74 1.5449 6 4 0 4
59.98 1.05 1.5422 8 1 1 4
60.66 18.30 1.5267 8 2 0 4
61.85 17.86 1.5000 -6 3 2 4
62.05 19.48 1.4957 6 3 2 4
63.30 22.09 1.4691 -2 5 2 4
63.37 23.98 1.4678 2 5 2 4
63.44 2.28 1.4663 0 6 0 2
63.71 25.32 1.4607 0 0 4 2
63.89 4.15 1.4571 1 6 0 4
64.04 1.56 1.4541 -4 3 3 4
65.16 2.12 1.4316 1 1 4 4
65.36 6.67 1.4278 9 1 0 4
65.53 4.33 1.4245 -8 0 2 2
65.57 1.14 1.4238 -2 4 3 4
65.74 4.21 1.4204 7 4 0 4
65.79 5.25 1.4195 8 0 2 2
67.41 3.28 1.3892 3 6 0 4
67.97 1.11 1.3792 -5 3 3 4
68.53 1.26 1.3692 -3 1 4 4
68.55 1.14 1.3689 -4 5 2 4
68.67 10.24 1.3668 6 5 0 4
68.68 1.62 1.3667 4 5 2 4
69.58 1.03 1.3511 3 6 1 4
70.56 1.05 1.3347 -4 0 4 2
70.71 1.02 1.3323 -4 4 3 4
70.81 1.50 1.3307 4 0 4 2
70.84 1.22 1.3301 6 5 1 4
72.38 1.01 1.3056 0 5 3 4
72.50 1.15 1.3037 -4 6 1 4
72.64 1.33 1.3016 -6 3 3 4
72.65 2.66 1.3014 -1 3 4 4
72.71 1.24 1.3005 1 3 4 4
72.91 2.20 1.2974 6 3 3 4
73.51 2.15 1.2882 10 1 0 4
73.74 1.16 1.2848 -9 1 2 4
73.88 4.52 1.2828 -2 3 4 4
73.98 2.56 1.2813 -8 3 2 4
74.00 5.78 1.2810 2 3 4 4
74.01 2.90 1.2808 -2 5 3 4
74.10 2.88 1.2795 2 5 3 4
74.22 1.56 1.2777 8 3 2 4
74.25 1.79 1.2772 -4 2 4 4
74.50 1.01 1.2737 4 2 4 4
74.60 1.03 1.2722 -10 0 1 2
74.91 1.06 1.2677 -9 3 1 4
75.23 1.61 1.2630 -5 1 4 4
76.25 5.16 1.2487 10 2 0 4
76.32 1.28 1.2477 5 6 1 4
77.32 1.31 1.2340 2 7 0 4
78.77 1.37 1.2150 6 6 0 4
79.01 1.61 1.2119 -1 4 4 4
79.07 1.68 1.2111 1 4 4 4
80.32 1.07 1.1954 2 4 4 4
80.36 1.78 1.1949 8 5 0 4
80.96 2.43 1.1875 -9 3 2 4
81.23 2.56 1.1843 9 3 2 4
82.20 1.54 1.1727 -3 4 4 4
82.22 1.59 1.1725 4 7 0 4
82.38 2.15 1.1706 3 4 4 4
82.68 1.07 1.1671 -10 3 1 4
82.83 1.28 1.1654 10 3 1 4
85.88 1.16 1.1317 -3 6 3 4
87.24 1.27 1.1174 6 5 3 4
87.61 2.53 1.1137 -7 2 4 4
88.02 2.32 1.1095 7 2 4 4
88.61 1.75 1.1037 -10 3 2 4
88.86 1.43 1.1013 -4 0 5 2
88.91 1.83 1.1008 10 3 2 4
89.15 1.83 1.0984 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.