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 = 80 K
_database_code_amcsd 0007362
CELL PARAMETERS: 13.0230 8.7994 5.8422 90.000 90.231 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 669.479
Density (g/cm3): 4.054
MAX. ABS. INTENSITY / VOLUME**2: 11.33508797
RIR: 0.911
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.14 100.00 7.2910 1 1 0 4
13.60 30.64 6.5114 2 0 0 2
18.23 9.10 4.8671 0 1 1 4
19.45 9.16 4.5641 -1 1 1 4
19.49 4.21 4.5541 1 1 1 4
20.46 1.20 4.3398 2 0 1 2
21.32 5.96 4.1682 1 2 0 4
22.77 3.43 3.9047 -2 1 1 4
22.84 26.67 3.8930 3 1 0 4
22.85 3.57 3.8922 2 1 1 4
26.25 2.58 3.3952 -1 2 1 4
26.28 4.53 3.3911 1 2 1 4
27.39 25.07 3.2557 4 0 0 2
27.49 1.57 3.2451 -3 1 1 4
27.58 3.81 3.2342 3 1 1 4
28.89 10.76 3.0901 3 2 0 4
30.61 6.43 2.9211 0 0 2 2
31.26 37.78 2.8615 1 3 0 4
31.40 49.47 2.8488 -4 0 1 2
31.51 48.56 2.8391 4 0 1 2
32.75 11.15 2.7348 -3 2 1 4
32.83 11.27 2.7283 3 2 1 4
33.01 54.20 2.7137 -1 1 2 4
33.06 44.84 2.7094 1 1 2 4
33.51 71.39 2.6743 2 3 0 4
34.21 1.53 2.6213 0 3 1 4
34.26 17.22 2.6171 4 2 0 4
34.90 2.54 2.5707 -1 3 1 4
34.93 4.96 2.5689 1 3 1 4
35.13 13.43 2.5543 -2 1 2 4
35.23 13.22 2.5472 2 1 2 4
35.96 10.14 2.4975 5 1 0 4
36.94 21.72 2.4336 0 2 2 4
36.94 20.81 2.4332 -2 3 1 4
36.99 15.18 2.4301 2 3 1 4
37.61 15.43 2.3913 -4 2 1 4
37.71 15.00 2.3855 4 2 1 4
38.46 15.49 2.3405 -3 1 2 4
38.60 18.93 2.3324 3 1 2 4
40.22 2.05 2.2421 3 3 1 4
41.03 1.57 2.1999 0 4 0 2
41.45 19.59 2.1786 -4 0 2 2
41.61 1.92 2.1705 6 0 0 2
41.62 18.14 2.1699 4 0 2 2
41.64 22.42 2.1691 1 4 0 4
42.53 5.38 2.1258 -3 2 2 4
42.65 5.12 2.1197 3 2 2 4
42.76 28.51 2.1147 -4 1 2 4
42.93 24.60 2.1068 4 1 2 4
43.42 12.73 2.0841 2 4 0 4
46.23 6.32 1.9638 -2 4 1 4
46.27 14.19 1.9623 3 4 0 4
46.27 3.77 1.9622 2 4 1 4
46.52 7.40 1.9524 -4 2 2 4
46.64 1.35 1.9476 5 3 0 4
46.66 1.56 1.9465 6 2 0 4
46.67 8.60 1.9461 4 2 2 4
47.83 13.61 1.9019 -5 1 2 4
47.84 3.47 1.9014 0 1 3 4
48.02 16.43 1.8946 5 1 2 4
49.28 1.05 1.8493 -5 3 1 4
49.29 2.07 1.8487 -6 2 1 4
49.37 2.34 1.8459 5 3 1 4
49.41 1.89 1.8447 6 2 1 4
50.04 2.21 1.8228 4 4 0 4
50.12 2.08 1.8202 7 1 0 4
51.79 1.11 1.7652 -1 2 3 4
52.04 1.19 1.7573 0 4 2 4
52.42 1.99 1.7456 -6 0 2 2
52.53 6.69 1.7420 -1 4 2 4
52.57 5.23 1.7409 1 4 2 4
52.63 2.20 1.7391 3 1 3 4
52.63 1.83 1.7389 4 4 1 4
53.48 18.48 1.7135 7 2 0 4
53.97 1.62 1.6989 2 5 0 4
54.09 1.03 1.6955 2 4 2 4
54.45 1.51 1.6851 0 5 1 4
54.83 4.75 1.6742 -4 0 3 2
54.87 6.59 1.6733 -6 3 1 4
54.97 5.38 1.6703 6 3 1 4
55.05 5.05 1.6683 4 0 3 2
55.72 1.16 1.6497 -3 2 3 4
56.38 7.05 1.6318 -2 5 1 4
56.42 6.70 1.6309 2 5 1 4
56.44 7.51 1.6302 -3 4 2 4
56.53 1.80 1.6279 8 0 0 2
56.55 7.18 1.6275 3 4 2 4
56.73 10.98 1.6227 -5 3 2 4
56.90 9.26 1.6182 5 3 2 4
56.94 1.60 1.6171 6 2 2 4
57.20 2.31 1.6106 -1 3 3 4
57.25 1.12 1.6093 1 3 3 4
57.58 1.56 1.6007 8 1 0 4
58.59 3.61 1.5755 -2 3 3 4
58.69 4.23 1.5730 2 3 3 4
59.03 2.15 1.5648 -4 2 3 4
59.24 3.64 1.5599 4 2 3 4
59.85 1.30 1.5454 -8 1 1 4
59.86 2.42 1.5450 6 4 0 4
59.98 1.09 1.5422 8 1 1 4
60.66 19.20 1.5267 8 2 0 4
61.85 18.34 1.5000 -6 3 2 4
62.05 19.98 1.4958 6 3 2 4
63.30 23.02 1.4693 -2 5 2 4
63.36 24.49 1.4679 2 5 2 4
63.43 2.14 1.4666 0 6 0 2
63.72 26.30 1.4605 0 0 4 2
63.87 4.29 1.4574 1 6 0 4
63.99 1.06 1.4551 5 4 2 4
64.04 1.18 1.4540 -4 3 3 4
65.17 1.65 1.4315 1 1 4 4
65.36 7.20 1.4278 9 1 0 4
65.53 4.82 1.4244 -8 0 2 2
65.56 1.08 1.4238 -2 4 3 4
65.73 4.08 1.4205 7 4 0 4
65.79 5.55 1.4195 8 0 2 2
67.40 3.47 1.3894 3 6 0 4
67.97 1.24 1.3792 -5 3 3 4
68.54 1.14 1.3691 -3 1 4 4
68.54 1.23 1.3690 -4 5 2 4
68.66 10.82 1.3670 6 5 0 4
68.67 1.42 1.3668 4 5 2 4
70.57 1.03 1.3346 -4 0 4 2
70.74 1.07 1.3318 -6 5 1 4
70.81 1.52 1.3306 4 0 4 2
70.83 1.29 1.3303 6 5 1 4
72.37 1.03 1.3057 0 5 3 4
72.49 1.04 1.3039 -4 6 1 4
72.64 1.41 1.3016 -6 3 3 4
72.66 2.79 1.3013 -1 3 4 4
72.72 1.45 1.3004 1 3 4 4
72.91 2.27 1.2974 6 3 3 4
73.51 2.12 1.2883 10 1 0 4
73.74 1.09 1.2848 -9 1 2 4
73.88 4.83 1.2827 -2 3 4 4
73.98 2.38 1.2813 -8 3 2 4
74.00 6.04 1.2809 2 3 4 4
74.01 3.25 1.2809 -2 5 3 4
74.10 2.95 1.2795 2 5 3 4
74.22 1.56 1.2778 8 3 2 4
74.26 1.77 1.2771 -4 2 4 4
74.50 1.16 1.2736 4 2 4 4
74.90 1.04 1.2678 -9 3 1 4
75.24 1.69 1.2629 -5 1 4 4
75.54 1.00 1.2587 5 1 4 4
76.25 5.31 1.2487 10 2 0 4
76.31 1.33 1.2479 5 6 1 4
77.31 1.46 1.2343 2 7 0 4
78.75 1.36 1.2152 6 6 0 4
79.01 1.55 1.2119 -1 4 4 4
79.07 1.94 1.2111 1 4 4 4
80.32 1.16 1.1953 2 4 4 4
80.35 1.77 1.1950 8 5 0 4
80.96 2.65 1.1875 -9 3 2 4
81.22 2.77 1.1843 9 3 2 4
82.20 1.68 1.1727 4 7 0 4
82.21 1.57 1.1726 -3 4 4 4
82.38 1.99 1.1706 3 4 4 4
82.68 1.15 1.1671 -10 3 1 4
82.83 1.34 1.1654 10 3 1 4
85.87 1.16 1.1317 -3 6 3 4
87.24 1.38 1.1175 6 5 3 4
87.62 2.71 1.1136 -7 2 4 4
88.03 2.48 1.1095 7 2 4 4
88.61 1.82 1.1037 -10 3 2 4
88.87 1.72 1.1012 -4 0 5 2
88.90 1.96 1.1008 10 3 2 4
89.16 1.92 1.0983 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.