Vesuvianite
Ohkawa M, Yoshiasa A, Takeno S
American Mineralogist 77 (1992) 945-953
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal
coordinated sites
sample #2 from Sanpo
_database_code_amcsd 0001538
CELL PARAMETERS: 15.6060 15.6060 11.8250 90.000 90.000 90.000
SPACE GROUP: P4/nnc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2879.946
Density (g/cm3): 3.395
MAX. ABS. INTENSITY / VOLUME**2: 7.982269950
RIR: 0.766
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.01 9.36 11.0351 1 1 0 4
9.38 2.83 9.4250 1 0 1 8
14.74 1.16 6.0104 2 1 1 16
14.98 10.54 5.9125 0 0 2 2
16.06 2.05 5.5176 2 2 0 4
17.01 1.64 5.2116 1 1 2 8
18.83 6.53 4.7125 2 0 2 8
19.68 3.18 4.5113 2 1 2 16
21.87 2.40 4.0646 3 2 1 16
22.04 13.44 4.0339 2 2 2 8
22.79 3.70 3.9015 4 0 0 4
23.48 1.35 3.7887 3 1 2 16
25.50 1.17 3.4925 3 2 2 16
25.53 16.25 3.4896 4 2 0 8
27.39 10.56 3.2564 4 0 2 8
27.99 1.17 3.1878 4 1 2 16
28.99 5.32 3.0799 3 1 3 16
29.18 8.68 3.0606 5 1 0 8
29.60 7.88 3.0178 4 3 1 16
29.73 5.61 3.0052 4 2 2 16
30.23 60.33 2.9562 0 0 4 2
30.68 7.17 2.9143 3 2 3 16
31.33 4.30 2.8556 1 1 4 8
32.44 100.00 2.7602 4 3 2 16
32.45 34.57 2.7588 4 4 0 4
33.48 3.18 2.6764 5 3 0 8
34.32 2.02 2.6128 4 2 3 16
34.42 33.90 2.6058 2 2 4 8
34.47 70.81 2.6022 5 2 2 16
35.39 7.41 2.5360 3 1 4 16
35.81 2.37 2.5073 6 1 1 16
36.41 51.14 2.4675 6 2 0 8
36.73 11.44 2.4469 5 0 3 8
36.82 2.14 2.4412 3 2 4 16
37.19 1.15 2.4174 5 1 3 16
37.68 2.28 2.3871 5 4 1 16
37.79 6.25 2.3808 6 0 2 8
38.20 9.89 2.3562 4 0 4 8
38.24 5.23 2.3536 6 1 2 16
38.50 4.00 2.3383 1 0 5 8
38.56 4.35 2.3348 5 2 3 16
38.65 6.83 2.3298 4 1 4 16
39.09 5.36 2.3043 3 3 4 8
39.48 4.15 2.2826 6 3 1 16
39.97 1.48 2.2556 4 2 4 16
40.26 4.26 2.2399 2 1 5 16
40.75 4.51 2.2142 5 3 3 16
40.89 7.86 2.2070 7 1 0 8
41.21 4.58 2.1908 7 0 1 8
41.63 4.64 2.1696 7 1 1 16
41.96 1.59 2.1529 3 0 5 8
42.02 2.56 2.1502 6 1 3 16
42.10 2.35 2.1463 4 3 4 16
42.38 13.83 2.1327 3 1 5 16
42.46 9.56 2.1288 6 4 1 16
43.26 7.28 2.0915 6 2 3 16
43.66 2.59 2.0730 5 4 3 16
43.74 1.23 2.0695 5 2 4 16
43.78 3.84 2.0677 7 1 2 16
44.20 10.56 2.0492 7 3 0 8
44.58 4.66 2.0323 6 4 2 16
44.89 5.92 2.0191 7 3 1 16
45.26 8.82 2.0035 6 3 3 16
45.73 1.18 1.9841 5 3 4 16
46.07 6.62 1.9702 6 5 1 16
46.89 1.69 1.9377 6 1 4 16
46.93 2.26 1.9362 7 3 2 16
47.20 4.07 1.9257 7 1 3 16
47.59 4.65 1.9108 2 0 6 8
47.60 2.05 1.9103 7 4 1 16
47.97 2.82 1.8967 2 1 6 16
48.03 3.44 1.8943 6 2 4 16
48.06 1.30 1.8930 6 5 2 16
48.08 6.20 1.8925 8 2 0 8
48.28 2.76 1.8850 5 0 5 8
48.28 1.46 1.8850 4 3 5 16
48.65 2.93 1.8714 5 1 5 16
50.64 1.62 1.8024 8 2 2 16
51.69 12.44 1.7685 7 1 4 16
51.69 1.22 1.7685 5 5 4 8
52.08 1.17 1.7562 6 6 2 8
52.40 1.36 1.7462 6 4 4 16
53.14 3.74 1.7234 9 1 0 8
53.68 1.15 1.7074 6 2 5 16
54.48 14.09 1.6841 7 3 4 16
54.86 3.54 1.6735 8 4 2 16
55.11 23.90 1.6664 4 3 6 16
56.46 24.44 1.6297 5 2 6 16
56.48 1.59 1.6293 9 3 1 16
56.52 7.79 1.6282 8 0 4 8
56.55 31.67 1.6273 9 2 2 16
58.55 7.02 1.5764 7 7 0 4
58.78 1.21 1.5708 6 0 6 8
59.11 9.85 1.5629 6 1 6 16
59.16 9.38 1.5616 6 6 4 8
59.21 1.01 1.5606 8 6 0 8
59.43 1.36 1.5554 7 6 3 16
59.71 1.55 1.5487 7 3 5 16
59.81 3.83 1.5462 7 5 4 16
60.08 1.88 1.5399 6 2 6 16
60.09 1.72 1.5396 10 1 1 16
60.50 6.15 1.5303 10 2 0 8
60.67 1.13 1.5263 6 5 5 16
60.72 1.01 1.5253 8 5 3 16
61.14 4.14 1.5158 9 5 0 8
61.68 3.04 1.5038 6 3 6 16
61.73 7.93 1.5026 8 4 4 16
61.77 3.35 1.5019 10 1 2 16
62.37 1.23 1.4889 9 1 4 16
62.64 1.36 1.4830 10 3 1 16
62.71 1.09 1.4815 10 2 2 16
62.87 4.96 1.4781 0 0 8 2
63.31 1.57 1.4689 7 6 4 16
63.88 1.19 1.4572 6 4 6 16
65.42 1.99 1.4266 10 2 3 16
66.14 1.54 1.4129 11 1 0 8
67.31 9.50 1.3910 7 7 4 8
67.92 1.77 1.3801 8 6 4 16
67.96 2.59 1.3794 8 8 0 4
68.12 1.02 1.3765 9 2 5 16
68.16 2.01 1.3758 8 7 3 16
68.56 3.29 1.3687 11 3 0 8
69.15 1.08 1.3585 10 5 2 16
69.15 1.47 1.3585 11 2 2 16
69.72 11.94 1.3488 9 5 4 16
70.16 1.16 1.3414 7 1 7 16
70.35 1.44 1.3382 10 6 0 8
70.79 2.56 1.3310 5 1 8 16
72.55 5.36 1.3029 4 4 8 8
72.67 1.22 1.3011 10 4 4 16
72.70 6.96 1.3006 11 4 2 16
73.79 8.23 1.2841 9 2 6 16
74.42 3.98 1.2748 11 1 4 16
74.89 5.38 1.2680 6 2 8 16
74.95 1.11 1.2671 8 5 6 16
75.03 2.06 1.2660 12 1 2 16
76.73 1.01 1.2421 11 3 4 16
77.21 1.21 1.2355 10 4 5 16
77.34 1.27 1.2338 12 4 0 8
77.84 3.11 1.2271 12 4 1 16
79.08 1.38 1.2110 4 3 9 16
79.78 1.00 1.2021 10 5 5 16
81.88 1.35 1.1765 12 5 2 16
84.81 1.59 1.1432 10 1 7 16
86.80 1.72 1.1220 9 1 8 16
87.51 1.63 1.1147 14 0 0 4
88.03 2.17 1.1094 13 1 4 16
88.03 2.49 1.1094 11 7 4 16
88.40 4.31 1.1058 4 3 10 16
88.55 4.46 1.1043 11 4 6 16
89.04 1.35 1.0995 9 3 8 16
89.52 4.05 1.0949 5 2 10 16
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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.