Ilvaite
Carrozzini B
European Journal of Mineralogy 6 (1994) 465-479
Crystal structure refinements of ilvaite: new relationships
between chemical composition and crystallographic parameters
Sample: Oridda X-3.3
_database_code_amcsd 0006542
CELL PARAMETERS: 13.0060 8.8420 5.8440 90.000 90.190 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 672.051
Density (g/cm3): 4.029
MAX. ABS. INTENSITY / VOLUME**2: 11.00442078
RIR: 0.889
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.10 100.00 7.3122 1 1 0 4
13.62 29.53 6.5030 2 0 0 2
18.20 8.73 4.8753 0 1 1 4
19.43 7.55 4.5693 -1 1 1 4
19.46 5.20 4.5610 1 1 1 4
21.23 6.49 4.1858 1 2 0 4
22.77 3.20 3.9060 -2 1 1 4
22.83 2.57 3.8956 2 1 1 4
22.85 22.91 3.8926 3 1 0 4
26.17 4.33 3.4047 -1 2 1 4
26.20 2.95 3.4012 1 2 1 4
27.43 25.95 3.2515 4 0 0 2
27.49 4.08 3.2442 -3 1 1 4
27.57 3.71 3.2353 3 1 1 4
28.84 11.90 3.0954 3 2 0 4
30.60 7.45 2.9220 0 0 2 2
31.11 42.22 2.8744 1 3 0 4
31.44 51.33 2.8453 -4 0 1 2
31.53 51.56 2.8373 4 0 1 2
32.71 10.23 2.7380 -3 2 1 4
32.77 9.97 2.7327 3 2 1 4
32.99 53.15 2.7151 -1 1 2 4
33.03 53.27 2.7116 1 1 2 4
33.38 74.16 2.6845 2 3 0 4
34.07 1.42 2.6316 0 3 1 4
34.23 16.94 2.6193 4 2 0 4
34.77 3.77 2.5801 -1 3 1 4
34.79 3.71 2.5786 1 3 1 4
35.13 12.45 2.5548 -2 1 2 4
35.21 12.00 2.5490 2 1 2 4
35.99 10.23 2.4954 5 1 0 4
36.83 18.03 2.4407 -2 3 1 4
36.87 18.58 2.4382 2 3 1 4
36.87 20.79 2.4377 0 2 2 4
37.59 15.56 2.3926 -4 2 1 4
37.67 16.55 2.3879 4 2 1 4
38.47 17.00 2.3402 -3 1 2 4
38.58 17.50 2.3335 3 1 2 4
40.05 1.96 2.2511 -3 3 1 4
40.11 1.59 2.2481 3 3 1 4
40.82 1.60 2.2105 0 4 0 2
41.43 20.91 2.1792 1 4 0 4
41.48 18.62 2.1769 -4 0 2 2
41.62 17.57 2.1698 4 0 2 2
41.67 2.58 2.1677 6 0 0 2
42.49 5.37 2.1273 -3 2 2 4
42.60 5.73 2.1223 3 2 2 4
42.78 28.16 2.1138 -4 1 2 4
42.92 27.52 2.1072 4 1 2 4
43.23 13.79 2.0929 2 4 0 4
46.05 5.44 1.9710 -2 4 1 4
46.08 5.37 1.9697 2 4 1 4
46.09 13.72 1.9693 3 4 0 4
46.50 8.14 1.9530 -4 2 2 4
46.57 1.70 1.9503 5 3 0 4
46.63 8.26 1.9478 4 2 2 4
46.67 1.72 1.9463 6 2 0 4
47.81 3.30 1.9024 0 1 3 4
47.86 15.33 1.9006 -5 1 2 4
48.02 15.91 1.8946 5 1 2 4
49.22 2.36 1.8514 -5 3 1 4
49.29 2.22 1.8486 5 3 1 4
49.30 1.54 1.8482 -6 2 1 4
49.40 1.70 1.8449 6 2 1 4
49.89 2.61 1.8281 4 4 0 4
50.17 1.91 1.8183 7 1 0 4
51.74 1.07 1.7668 -1 2 3 4
51.86 2.29 1.7629 0 4 2 4
52.36 7.06 1.7474 -1 4 2 4
52.39 6.81 1.7464 1 4 2 4
52.46 1.31 1.7441 -3 1 3 4
52.48 1.28 1.7437 -6 0 2 2
52.60 1.39 1.7400 3 1 3 4
52.66 1.34 1.7382 6 0 2 2
53.50 18.62 1.7129 7 2 0 4
53.71 1.65 1.7064 2 5 0 4
54.19 1.14 1.6926 0 5 1 4
54.83 6.83 1.6744 -6 3 1 4
54.86 6.22 1.6735 -4 0 3 2
54.92 7.17 1.6719 6 3 1 4
55.03 5.31 1.6686 4 0 3 2
56.14 7.38 1.6384 -2 5 1 4
56.17 6.81 1.6376 2 5 1 4
56.30 7.97 1.6342 -3 4 2 4
56.38 7.55 1.6319 3 4 2 4
56.61 2.79 1.6257 8 0 0 2
56.68 11.18 1.6240 -5 3 2 4
56.75 1.53 1.6221 -6 2 2 4
56.82 11.00 1.6203 5 3 2 4
56.92 1.72 1.6176 6 2 2 4
57.10 1.58 1.6131 -1 3 3 4
57.14 1.84 1.6120 1 3 3 4
57.65 1.44 1.5989 8 1 0 4
58.50 4.66 1.5777 -2 3 3 4
58.59 4.24 1.5756 2 3 3 4
59.02 2.67 1.5651 -4 2 3 4
59.18 3.03 1.5611 4 2 3 4
59.75 2.66 1.5477 6 4 0 4
59.93 1.15 1.5435 -8 1 1 4
60.69 19.94 1.5258 8 2 0 4
61.82 19.62 1.5007 -6 3 2 4
61.98 19.63 1.4972 6 3 2 4
63.06 25.38 1.4741 -2 5 2 4
63.08 1.86 1.4737 0 6 0 2
63.12 25.36 1.4730 2 5 2 4
63.54 5.01 1.4643 1 6 0 4
63.70 29.90 1.4610 0 0 4 2
65.44 7.73 1.4262 9 1 0 4
65.62 5.47 1.4227 -8 0 2 2
65.64 4.38 1.4223 7 4 0 4
65.83 5.36 1.4187 8 0 2 2
67.08 4.28 1.3953 3 6 0 4
67.93 1.06 1.3800 -5 3 3 4
68.12 1.15 1.3765 5 3 3 4
68.34 1.38 1.3726 -4 5 2 4
68.44 1.30 1.3708 4 5 2 4
68.47 10.66 1.3703 6 5 0 4
69.21 1.41 1.3574 -3 6 1 4
69.25 1.37 1.3568 3 6 1 4
70.56 1.44 1.3347 -6 5 1 4
70.59 1.14 1.3343 -4 0 4 2
70.64 1.34 1.3335 6 5 1 4
70.79 1.29 1.3310 4 0 4 2
72.56 2.63 1.3028 -1 3 4 4
72.61 2.80 1.3020 1 3 4 4
72.61 2.46 1.3020 -6 3 3 4
72.84 2.34 1.2985 6 3 3 4
73.61 2.03 1.2867 10 1 0 4
73.79 3.48 1.2841 -2 5 3 4
73.80 5.77 1.2840 -2 3 4 4
73.86 3.50 1.2830 2 5 3 4
73.90 6.14 1.2825 2 3 4 4
73.99 1.92 1.2812 -8 3 2 4
74.18 1.86 1.2783 8 3 2 4
74.24 1.43 1.2774 -4 2 4 4
74.44 1.33 1.2745 4 2 4 4
75.27 1.51 1.2626 -5 1 4 4
75.51 1.33 1.2591 5 1 4 4
75.95 1.35 1.2528 -5 6 1 4
76.01 1.45 1.2520 5 6 1 4
76.32 5.28 1.2477 10 2 0 4
76.88 1.16 1.2400 2 7 0 4
78.48 1.59 1.2187 6 6 0 4
78.86 1.62 1.2138 -1 4 4 4
78.91 1.72 1.2132 1 4 4 4
80.06 1.13 1.1986 -2 4 4 4
80.20 1.75 1.1968 8 5 0 4
80.99 3.44 1.1872 -9 3 2 4
81.20 3.44 1.1846 9 3 2 4
81.80 1.95 1.1774 4 7 0 4
82.07 1.68 1.1742 -3 4 4 4
82.22 1.81 1.1725 3 4 4 4
82.72 1.56 1.1667 -10 3 1 4
82.84 1.37 1.1653 10 3 1 4
85.58 1.06 1.1349 -3 6 3 4
85.68 1.09 1.1337 3 6 3 4
86.81 1.26 1.1219 -6 5 3 4
87.03 1.38 1.1196 6 5 3 4
87.66 3.15 1.1132 -7 2 4 4
87.99 3.16 1.1099 7 2 4 4
88.66 1.95 1.1032 -10 3 2 4
88.88 2.49 1.1011 -4 0 5 2
88.90 1.96 1.1009 10 3 2 4
89.12 2.34 1.0987 4 0 5 2
89.88 1.15 1.0914 6 7 0 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.