Vesuvianite
Groat L A, Hawthorne F C, Ercit T S
The Canadian Mineralogist 30 (1992) 1065-1075
The role of fluorine in vesuvianite: A crystal-structure study
Sample: V12
_database_code_amcsd 0005282
CELL PARAMETERS: 15.5220 15.5220 11.8020 90.000 90.000 90.000
SPACE GROUP: P4/nnc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2843.485
Density (g/cm3): 3.471
MAX. ABS. INTENSITY / VOLUME**2: 8.272001593
RIR: 0.776
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.41 13.02 9.3948 1 0 1 8
11.40 4.68 7.7610 2 0 0 4
14.81 6.10 5.9834 2 1 1 16
15.01 12.36 5.9010 0 0 2 2
17.06 1.88 5.1974 1 1 2 8
18.07 3.29 4.9085 3 1 0 8
18.89 7.68 4.6974 2 0 2 8
19.75 1.64 4.4960 2 1 2 16
21.98 6.39 4.0444 3 2 1 16
22.12 14.10 4.0186 2 2 2 8
22.92 1.04 3.8805 4 0 0 4
23.58 1.26 3.7736 3 1 2 16
25.61 1.29 3.4779 3 2 2 16
25.67 17.33 3.4708 4 2 0 8
27.51 10.49 3.2423 4 0 2 8
28.12 1.08 3.1738 4 1 2 16
29.09 5.76 3.0697 3 1 3 16
29.34 7.03 3.0441 5 1 0 8
29.76 13.15 3.0023 4 3 1 16
29.87 7.11 2.9917 4 2 2 16
30.29 56.20 2.9505 0 0 4 2
30.32 1.06 2.9476 5 1 1 16
30.79 6.18 2.9041 3 2 3 16
31.40 4.91 2.8493 1 1 4 8
31.96 1.28 2.8001 5 2 1 16
32.59 100.00 2.7474 4 3 2 16
32.63 35.62 2.7439 4 4 0 4
33.67 2.35 2.6620 5 3 0 8
34.46 2.36 2.6027 4 2 3 16
34.51 35.55 2.5987 2 2 4 8
34.63 64.81 2.5899 5 2 2 16
35.50 7.32 2.5288 3 1 4 16
36.62 56.32 2.4542 6 2 0 8
36.88 9.91 2.4370 5 0 3 8
36.93 2.09 2.4338 3 2 4 16
37.35 1.08 2.4075 5 1 3 16
37.98 5.38 2.3693 6 0 2 8
38.32 8.56 2.3487 4 0 4 8
38.43 3.32 2.3422 6 1 2 16
38.58 1.87 2.3336 1 0 5 8
38.73 4.05 2.3251 5 2 3 16
38.78 7.12 2.3223 4 1 4 16
39.23 5.77 2.2967 3 3 4 8
39.69 2.39 2.2707 6 3 1 16
40.11 1.29 2.2480 4 2 4 16
40.36 1.97 2.2347 2 1 5 16
40.93 4.18 2.2047 5 3 3 16
41.12 10.67 2.1951 7 1 0 8
41.43 5.59 2.1793 7 0 1 8
41.86 5.85 2.1581 7 1 1 16
42.08 2.90 2.1475 3 0 5 8
42.21 2.11 2.1409 6 1 3 16
42.26 2.56 2.1387 4 3 4 16
42.50 13.95 2.1272 3 1 5 16
42.70 10.65 2.1176 6 4 1 16
43.11 1.77 2.0981 7 2 1 16
43.46 7.63 2.0823 6 2 3 16
43.87 3.13 2.0638 5 4 3 16
43.91 1.42 2.0618 5 2 4 16
44.01 3.81 2.0574 7 1 2 16
44.45 11.00 2.0381 7 3 0 8
44.82 5.59 2.0222 6 4 2 16
45.14 5.21 2.0084 7 3 1 16
45.48 9.64 1.9945 6 3 3 16
45.92 1.02 1.9765 5 3 4 16
46.33 7.68 1.9598 6 5 1 16
47.08 1.72 1.9301 6 1 4 16
47.18 2.36 1.9265 7 3 2 16
47.43 4.72 1.9169 7 1 3 16
47.70 3.46 1.9067 2 0 6 8
47.87 1.19 1.9002 8 1 1 16
47.87 1.41 1.9002 7 4 1 16
48.08 2.22 1.8925 2 1 6 16
48.23 2.75 1.8868 6 2 4 16
48.35 7.19 1.8823 8 2 0 8
48.45 1.77 1.8790 5 0 5 8
48.45 3.00 1.8790 4 3 5 16
48.82 3.18 1.8653 5 1 5 16
49.95 2.23 1.8259 3 1 6 16
50.59 1.21 1.8044 7 5 0 8
50.92 1.96 1.7933 8 2 2 16
51.92 14.32 1.7612 7 1 4 16
51.92 1.47 1.7612 5 5 4 8
52.13 1.72 1.7545 4 0 6 8
52.36 1.23 1.7473 6 6 2 8
53.45 2.72 1.7141 9 1 0 8
53.89 1.57 1.7013 6 2 5 16
54.74 12.84 1.6769 7 3 4 16
54.77 1.11 1.6761 1 0 7 8
55.17 3.71 1.6649 8 4 2 16
55.29 24.18 1.6615 4 3 6 16
55.63 1.61 1.6521 5 1 6 16
56.14 1.19 1.6384 2 1 7 16
56.65 23.08 1.6247 5 2 6 16
56.79 8.96 1.6211 8 0 4 8
56.81 1.69 1.6207 9 3 1 16
56.87 29.57 1.6190 9 2 2 16
58.13 1.03 1.5869 8 2 4 16
58.33 2.32 1.5820 5 3 6 16
58.90 6.66 1.5680 7 7 0 4
59.32 9.18 1.5579 6 1 6 16
59.45 9.11 1.5547 6 6 4 8
59.56 1.17 1.5522 8 6 0 8
59.74 1.04 1.5478 7 6 3 16
59.97 1.33 1.5426 7 3 5 16
60.11 4.34 1.5394 7 5 4 16
60.30 3.40 1.5349 6 2 6 16
60.45 2.56 1.5314 10 1 1 16
60.86 7.63 1.5221 10 2 0 8
61.51 4.61 1.5076 9 5 0 8
61.91 2.62 1.4987 6 3 6 16
62.04 7.71 1.4959 8 4 4 16
62.12 3.10 1.4942 10 1 2 16
62.68 1.01 1.4821 9 1 4 16
63.01 5.44 1.4753 0 0 8 2
63.08 1.18 1.4738 10 2 2 16
63.63 1.66 1.4623 7 6 4 16
65.79 1.92 1.4195 10 2 3 16
66.54 1.38 1.4053 11 1 0 8
67.67 9.40 1.3846 7 7 4 8
68.28 1.65 1.3737 8 6 4 16
68.38 2.77 1.3720 8 8 0 4
68.55 2.01 1.3689 8 7 3 16
68.98 2.66 1.3614 11 3 0 8
69.56 1.22 1.3514 10 5 2 16
69.56 1.23 1.3514 11 2 2 16
70.09 11.90 1.3425 9 5 4 16
70.42 1.27 1.3371 7 1 7 16
70.79 1.57 1.3310 10 6 0 8
71.00 2.22 1.3276 5 1 8 16
72.78 5.96 1.2994 4 4 8 8
73.07 1.21 1.2950 10 4 4 16
73.14 7.02 1.2939 11 4 2 16
74.13 7.68 1.2791 9 2 6 16
74.84 3.26 1.2687 11 1 4 16
74.86 1.04 1.2684 8 1 7 16
75.14 6.61 1.2644 6 2 8 16
75.30 1.03 1.2620 8 5 6 16
75.49 2.10 1.2593 12 1 2 16
77.84 1.70 1.2271 12 4 0 8
78.34 3.16 1.2205 12 4 1 16
79.31 2.37 1.2080 4 3 9 16
80.21 1.66 1.1967 10 5 5 16
82.41 1.33 1.1703 12 5 2 16
85.02 1.12 1.1409 6 3 9 16
85.21 1.31 1.1389 10 1 7 16
87.17 1.38 1.1182 9 1 8 16
88.11 1.79 1.1087 14 0 0 4
88.58 2.23 1.1040 13 1 4 16
88.58 2.30 1.1040 11 7 4 16
88.67 4.59 1.1032 4 3 10 16
89.03 4.62 1.0996 11 4 6 16
89.24 1.27 1.0976 14 2 0 8
89.44 1.16 1.0956 9 3 8 16
89.80 3.80 1.0922 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.