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: V4
_database_code_amcsd 0005284
CELL PARAMETERS: 15.5630 15.5630 11.8060 90.000 90.000 90.000
SPACE GROUP: P4/nnc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2859.495
Density (g/cm3): 3.595
MAX. ABS. INTENSITY / VOLUME**2: 8.407166545
RIR: 0.761
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.03 12.01 11.0047 1 1 0 4
9.40 11.76 9.4059 1 0 1 8
11.37 20.81 7.7815 2 0 0 4
14.78 6.27 5.9957 2 1 1 16
15.01 17.97 5.9030 0 0 2 2
16.11 3.86 5.5024 2 2 0 4
17.05 6.50 5.2019 1 1 2 8
18.02 18.37 4.9215 3 1 0 8
18.87 3.35 4.7029 2 0 2 8
19.72 2.74 4.5019 2 1 2 16
21.92 6.20 4.0539 3 2 1 16
22.08 22.53 4.0249 2 2 2 8
23.32 1.69 3.8152 1 0 3 8
23.54 5.13 3.7800 3 1 2 16
25.57 1.20 3.4843 3 2 2 16
25.60 31.91 3.4800 4 2 0 8
26.01 3.18 3.4257 2 1 3 16
27.46 16.19 3.2486 4 0 2 8
28.47 1.66 3.1353 3 0 3 8
29.05 5.00 3.0735 3 1 3 16
29.26 1.44 3.0522 5 1 0 8
29.68 12.58 3.0098 4 3 1 16
29.80 3.57 2.9978 4 2 2 16
30.28 61.09 2.9515 0 0 4 2
30.74 11.77 2.9081 3 2 3 16
31.38 7.25 2.8507 1 1 4 8
31.88 1.38 2.8071 5 2 1 16
32.52 100.00 2.7533 4 3 2 16
32.55 47.34 2.7512 4 4 0 4
32.88 1.03 2.7241 4 1 3 16
34.40 2.02 2.6069 4 2 3 16
34.48 28.49 2.6009 2 2 4 8
34.56 64.59 2.5956 5 2 2 16
34.58 1.82 2.5938 6 0 0 4
35.46 11.25 2.5312 3 1 4 16
36.52 71.59 2.4607 6 2 0 8
36.82 13.80 2.4413 5 0 3 8
36.82 1.37 2.4413 4 3 3 16
36.89 2.02 2.4364 3 2 4 16
37.28 1.20 2.4118 5 1 3 16
37.79 1.04 2.3806 5 4 1 16
37.89 7.14 2.3747 6 0 2 8
38.28 6.94 2.3515 4 0 4 8
38.34 4.14 2.3475 6 1 2 16
38.57 4.56 2.3345 1 0 5 8
38.65 7.67 2.3293 5 2 3 16
38.73 7.06 2.3251 4 1 4 16
39.18 7.75 2.2996 3 3 4 8
39.59 2.65 2.2765 6 3 1 16
40.06 3.29 2.2509 4 2 4 16
40.34 5.43 2.2360 2 1 5 16
40.85 4.43 2.2089 5 3 3 16
41.01 15.43 2.2009 7 1 0 8
41.32 5.73 2.1849 7 0 1 8
41.75 5.61 2.1637 7 1 1 16
42.04 1.33 2.1491 3 0 5 8
42.13 4.64 2.1450 6 1 3 16
42.19 2.28 2.1417 4 3 4 16
42.46 13.77 2.1289 3 1 5 16
42.58 10.41 2.1230 6 4 1 16
43.00 1.76 2.1035 7 2 1 16
43.37 7.40 2.0864 6 2 3 16
43.78 1.23 2.0679 5 4 3 16
43.84 1.38 2.0649 5 2 4 16
43.90 5.73 2.0623 7 1 2 16
44.33 16.18 2.0435 7 3 0 8
44.71 3.47 2.0270 6 4 2 16
45.02 5.53 2.0136 7 3 1 16
45.38 6.40 1.9986 6 3 3 16
45.84 2.08 1.9796 5 3 4 16
46.20 8.36 1.9648 6 5 1 16
47.00 1.68 1.9333 6 1 4 16
47.06 3.89 1.9311 7 3 2 16
47.32 4.70 1.9209 7 1 3 16
47.67 5.42 1.9076 2 0 6 8
47.74 1.15 1.9051 8 1 1 16
47.74 1.23 1.9051 7 4 1 16
48.05 2.51 1.8935 2 1 6 16
48.14 4.06 1.8900 6 2 4 16
48.20 1.04 1.8880 6 5 2 16
48.22 10.21 1.8873 8 2 0 8
48.39 3.52 1.8812 5 0 5 8
48.39 1.00 1.8812 4 3 5 16
48.46 1.19 1.8785 7 2 3 16
48.76 2.94 1.8676 5 1 5 16
50.44 2.57 1.8092 7 5 0 8
50.79 1.05 1.7976 8 2 2 16
51.82 15.69 1.7644 7 1 4 16
51.82 1.91 1.7644 5 5 4 8
52.23 2.07 1.7515 6 6 2 8
52.60 1.22 1.7400 8 4 0 8
52.82 1.26 1.7331 8 1 3 16
53.30 1.54 1.7186 9 1 0 8
53.81 1.48 1.7037 6 2 5 16
54.63 15.16 1.6801 7 3 4 16
55.02 5.26 1.6690 8 4 2 16
55.23 24.40 1.6632 4 3 6 16
56.31 1.09 1.6338 8 5 1 16
56.59 22.88 1.6265 5 2 6 16
56.65 1.53 1.6249 9 3 1 16
56.67 7.47 1.6243 8 0 4 8
56.72 30.29 1.6230 9 2 2 16
58.01 1.77 1.5900 8 2 4 16
58.73 5.16 1.5721 7 7 0 4
58.91 1.40 1.5676 6 0 6 8
59.24 9.15 1.5598 6 1 6 16
59.32 8.63 1.5578 6 6 4 8
59.39 2.12 1.5563 8 6 0 8
59.59 2.15 1.5513 7 6 3 16
59.59 1.17 1.5513 9 2 3 16
59.86 1.49 1.5452 7 3 5 16
59.97 5.17 1.5425 7 5 4 16
60.22 1.87 1.5368 6 2 6 16
60.28 2.67 1.5354 10 1 1 16
60.68 9.64 1.5261 10 2 0 8
60.83 1.37 1.5228 6 5 5 16
60.89 1.70 1.5214 8 5 3 16
61.33 6.48 1.5116 9 5 0 8
61.83 2.83 1.5006 6 3 6 16
61.90 7.06 1.4989 8 4 4 16
61.95 3.08 1.4979 10 1 2 16
62.90 1.88 1.4775 10 2 2 16
62.99 5.33 1.4757 0 0 8 2
63.49 1.61 1.4653 7 6 4 16
64.04 1.57 1.4541 6 4 6 16
64.49 1.13 1.4450 10 4 0 8
64.69 1.57 1.4410 10 1 3 16
65.61 1.87 1.4228 10 2 3 16
66.34 2.44 1.4090 11 1 0 8
67.50 8.70 1.3875 7 7 4 8
68.11 2.38 1.3766 8 6 4 16
68.17 3.55 1.3756 8 8 0 4
68.31 1.31 1.3732 9 2 5 16
68.36 2.95 1.3722 8 7 3 16
68.78 1.79 1.3650 11 3 0 8
69.36 1.20 1.3548 10 5 2 16
69.36 1.17 1.3548 11 2 2 16
69.57 1.03 1.3513 9 6 3 16
69.92 13.16 1.3454 9 5 4 16
70.32 1.28 1.3387 7 1 7 16
70.57 2.45 1.3345 10 6 0 8
70.94 2.55 1.3286 5 1 8 16
72.71 5.40 1.3005 4 4 8 8
72.89 1.62 1.2978 10 4 4 16
72.93 6.79 1.2971 11 4 2 16
73.99 7.97 1.2812 9 2 6 16
74.64 4.07 1.2715 11 1 4 16
75.05 5.81 1.2656 6 2 8 16
75.15 1.15 1.2642 8 5 6 16
75.27 2.24 1.2625 12 1 2 16
77.44 1.03 1.2325 10 4 5 16
77.60 2.41 1.2304 12 4 0 8
78.10 3.18 1.2237 12 4 1 16
79.25 1.76 1.2088 4 3 9 16
82.15 1.47 1.1733 12 5 2 16
83.30 1.21 1.1600 12 6 0 8
85.04 1.38 1.1407 10 1 7 16
86.07 1.03 1.1296 9 9 4 8
87.03 1.69 1.1196 9 1 8 16
87.81 2.10 1.1116 14 0 0 4
88.32 2.66 1.1066 11 7 4 16
88.32 2.62 1.1066 13 1 4 16
88.59 4.67 1.1039 4 3 10 16
88.82 4.55 1.1017 11 4 6 16
88.94 1.81 1.1005 14 2 0 8
89.28 1.34 1.0971 9 3 8 16
89.72 3.83 1.0929 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.