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: Seriphos X-3.1
_database_code_amcsd 0006539
CELL PARAMETERS: 13.0130 8.8020 5.8570 90.000 90.280 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 670.855
Density (g/cm3): 4.026
MAX. ABS. INTENSITY / VOLUME**2: 10.26875693
RIR: 0.830
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.14 100.00 7.2908 1 1 0 4
13.61 34.13 6.5064 2 0 0 2
18.19 10.93 4.8761 0 1 1 4
19.41 8.25 4.5722 -1 1 1 4
19.47 6.48 4.5600 1 1 1 4
21.31 6.69 4.1690 1 2 0 4
22.75 4.04 3.9096 -2 1 1 4
22.84 3.49 3.8943 2 1 1 4
22.86 24.67 3.8908 3 1 0 4
26.22 4.88 3.3990 -1 2 1 4
26.26 3.00 3.3939 1 2 1 4
27.42 26.47 3.2532 4 0 0 2
27.47 3.80 3.2474 -3 1 1 4
27.58 3.95 3.2344 3 1 1 4
28.90 12.15 3.0893 3 2 0 4
30.53 8.99 2.9285 0 0 2 2
31.25 42.56 2.8622 1 3 0 4
31.39 58.75 2.8499 -4 0 1 2
31.52 55.37 2.8381 4 0 1 2
32.73 11.44 2.7364 -3 2 1 4
32.82 12.01 2.7286 3 2 1 4
32.93 56.23 2.7200 -1 1 2 4
32.99 56.78 2.7149 1 1 2 4
33.50 78.36 2.6746 2 3 0 4
34.18 1.48 2.6233 0 3 1 4
34.28 17.98 2.6161 4 2 0 4
34.87 4.33 2.5726 -1 3 1 4
34.91 3.74 2.5704 1 3 1 4
35.06 13.76 2.5597 -2 1 2 4
35.18 12.97 2.5512 2 1 2 4
35.98 10.68 2.4958 5 1 0 4
36.87 22.17 2.4380 0 2 2 4
36.92 20.55 2.4348 -2 3 1 4
36.98 19.91 2.4311 2 3 1 4
37.60 15.70 2.3921 -4 2 1 4
37.72 18.88 2.3851 4 2 1 4
38.39 17.57 2.3447 -3 1 2 4
38.56 18.94 2.3349 3 1 2 4
39.31 1.13 2.2921 5 1 1 4
40.13 2.23 2.2469 -3 3 1 4
40.21 1.47 2.2425 3 3 1 4
41.02 1.48 2.2005 0 4 0 2
41.38 20.46 2.1818 -4 0 2 2
41.59 19.02 2.1712 4 0 2 2
41.63 22.51 2.1697 1 4 0 4
41.64 2.45 2.1688 6 0 0 2
42.46 5.51 2.1290 -3 2 2 4
42.61 6.01 2.1216 3 2 2 4
42.70 31.53 2.1177 -4 1 2 4
42.90 30.16 2.1081 4 1 2 4
43.41 14.82 2.0845 2 4 0 4
46.20 5.82 1.9648 -2 4 1 4
46.25 5.66 1.9629 2 4 1 4
46.26 15.07 1.9624 3 4 0 4
46.45 8.20 1.9548 -4 2 2 4
46.65 8.29 1.9472 4 2 2 4
46.65 1.61 1.9470 5 3 0 4
46.69 1.93 1.9454 6 2 0 4
47.72 4.07 1.9060 0 1 3 4
47.77 15.91 1.9039 -5 1 2 4
48.01 16.77 1.8951 5 1 2 4
49.27 2.53 1.8496 -5 3 1 4
49.29 1.71 1.8487 -6 2 1 4
49.38 2.04 1.8455 5 3 1 4
49.43 2.23 1.8438 6 2 1 4
50.04 2.45 1.8227 4 4 0 4
50.16 2.14 1.8189 7 1 0 4
51.67 1.45 1.7691 -1 2 3 4
51.98 2.25 1.7592 0 4 2 4
52.34 1.53 1.7480 -3 1 3 4
52.37 1.41 1.7470 -6 0 2 2
52.47 7.38 1.7440 -1 4 2 4
52.51 6.88 1.7427 1 4 2 4
52.54 1.55 1.7419 3 1 3 4
52.54 1.13 1.7417 -4 4 1 4
52.64 1.49 1.7388 6 0 2 2
53.51 20.51 1.7125 7 2 0 4
53.96 1.45 1.6993 2 5 0 4
54.42 1.38 1.6859 0 5 1 4
54.62 1.02 1.6804 5 4 0 4
54.71 6.90 1.6776 -4 0 3 2
54.87 7.40 1.6733 -6 3 1 4
54.97 5.77 1.6704 4 0 3 2
54.99 7.46 1.6697 6 3 1 4
55.79 1.09 1.6478 3 2 3 4
56.36 7.90 1.6326 -2 5 1 4
56.38 8.44 1.6319 -3 4 2 4
56.40 7.76 1.6314 2 5 1 4
56.51 7.69 1.6286 3 4 2 4
56.58 3.08 1.6266 8 0 0 2
56.68 11.77 1.6241 -5 3 2 4
56.69 1.44 1.6237 -6 2 2 4
56.89 11.49 1.6186 5 3 2 4
56.94 1.69 1.6172 6 2 2 4
57.08 1.64 1.6136 -1 3 3 4
57.14 2.27 1.6120 1 3 3 4
57.63 1.75 1.5995 8 1 0 4
58.47 5.12 1.5784 -2 3 3 4
58.60 4.89 1.5754 2 3 3 4
58.92 2.94 1.5676 -4 2 3 4
59.16 3.29 1.5617 4 2 3 4
59.87 1.37 1.5449 -8 1 1 4
59.88 2.83 1.5447 6 4 0 4
60.03 1.11 1.5411 8 1 1 4
60.70 21.11 1.5257 8 2 0 4
61.81 21.69 1.5010 -6 3 2 4
62.04 21.95 1.4959 6 3 2 4
63.23 27.30 1.4706 -2 5 2 4
63.31 27.16 1.4690 2 5 2 4
63.40 2.37 1.4670 0 6 0 2
63.54 32.52 1.4642 0 0 4 2
63.85 5.18 1.4578 1 6 0 4
65.41 8.22 1.4268 9 1 0 4
65.51 6.04 1.4249 -8 0 2 2
65.76 4.83 1.4201 7 4 0 4
65.81 5.86 1.4190 8 0 2 2
67.39 4.35 1.3897 3 6 0 4
67.86 1.00 1.3811 -5 3 3 4
68.14 1.26 1.3761 5 3 3 4
68.48 1.57 1.3701 -4 5 2 4
68.63 1.37 1.3674 4 5 2 4
68.67 11.65 1.3668 6 5 0 4
69.49 1.59 1.3526 -3 6 1 4
69.55 1.34 1.3517 3 6 1 4
70.38 1.14 1.3377 -4 0 4 2
70.68 1.36 1.3328 4 0 4 2
70.73 1.47 1.3320 -6 5 1 4
70.84 1.47 1.3301 6 5 1 4
72.27 1.03 1.3074 0 5 3 4
72.48 2.65 1.3041 -1 3 4 4
72.54 2.55 1.3032 -6 3 3 4
72.55 2.89 1.3030 1 3 4 4
72.86 2.49 1.2981 6 3 3 4
73.58 2.07 1.2873 10 1 0 4
73.70 6.15 1.2855 -2 3 4 4
73.85 6.72 1.2833 2 3 4 4
73.89 4.03 1.2826 -2 5 3 4
73.95 2.34 1.2818 -8 3 2 4
74.00 3.78 1.2810 2 5 3 4
74.08 1.55 1.2799 -4 2 4 4
74.24 2.27 1.2775 8 3 2 4
74.37 1.43 1.2756 4 2 4 4
75.06 1.67 1.2655 -5 1 4 4
75.42 1.35 1.2603 5 1 4 4
76.21 1.47 1.2492 -5 6 1 4
76.30 1.59 1.2480 5 6 1 4
76.31 5.96 1.2479 10 2 0 4
77.28 1.14 1.2346 2 7 0 4
78.76 1.66 1.2151 6 6 0 4
78.83 1.68 1.2142 -1 4 4 4
78.90 1.96 1.2133 1 4 4 4
80.02 1.26 1.1991 -2 4 4 4
80.16 1.04 1.1973 2 4 4 4
80.37 1.91 1.1947 8 5 0 4
80.94 3.53 1.1878 -9 3 2 4
81.26 3.55 1.1839 9 3 2 4
82.02 1.81 1.1748 -3 4 4 4
82.19 2.04 1.1729 4 7 0 4
82.23 2.03 1.1723 3 4 4 4
82.71 1.84 1.1668 -10 3 1 4
82.89 1.60 1.1647 10 3 1 4
85.75 1.10 1.1330 -3 6 3 4
85.91 1.28 1.1313 3 6 3 4
86.87 1.45 1.1213 -6 5 3 4
87.18 1.48 1.1181 6 5 3 4
87.45 3.51 1.1154 -7 2 4 4
87.94 3.49 1.1104 7 2 4 4
88.60 2.95 1.1038 -4 0 5 2
88.60 2.05 1.1038 -10 3 2 4
88.95 2.53 1.1004 4 0 5 2
88.95 2.06 1.1004 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.