Vesuvianite
Lager G A, Xie Q, Ross F K, Rossman G R, Armbruster T, Rotella F J, Schultz A J
The Canadian Mineralogist 37 (1999) 763-768
Hydrogen-atom positions in P4/nnc vesuvianite
_database_code_amcsd 0005604
CELL PARAMETERS: 15.5330 15.5330 11.7850 90.000 90.000 90.000
SPACE GROUP: P4/nnc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2843.415
Density (g/cm3): 3.495
MAX. ABS. INTENSITY / VOLUME**2: 8.185917099
RIR: 0.763
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.42 12.43 9.3886 1 0 1 8
11.39 5.86 7.7665 2 0 0 4
14.80 6.89 5.9843 2 1 1 16
15.04 11.52 5.8925 0 0 2 2
17.08 2.65 5.1924 1 1 2 8
18.06 4.65 4.9120 3 1 0 8
18.90 4.17 4.6943 2 0 2 8
19.76 1.73 4.4936 2 1 2 16
21.97 5.52 4.0462 3 2 1 16
22.13 12.57 4.0175 2 2 2 8
23.58 1.75 3.7730 3 1 2 16
25.61 1.31 3.4777 3 2 2 16
25.65 19.99 3.4733 4 2 0 8
27.51 9.77 3.2425 4 0 2 8
28.11 1.04 3.1740 4 1 2 16
29.11 5.77 3.0679 3 1 3 16
29.32 5.87 3.0463 5 1 0 8
29.74 14.09 3.0040 4 3 1 16
29.86 4.89 2.9922 4 2 2 16
30.34 56.40 2.9462 0 0 4 2
30.80 8.30 2.9027 3 2 3 16
31.44 3.76 2.8456 1 1 4 8
31.94 1.52 2.8017 5 2 1 16
32.58 100.00 2.7481 4 3 2 16
32.61 37.80 2.7459 4 4 0 4
33.64 2.17 2.6639 5 3 0 8
34.47 2.71 2.6021 4 2 3 16
34.55 32.90 2.5962 2 2 4 8
34.62 65.79 2.5907 5 2 2 16
35.53 7.30 2.5266 3 1 4 16
36.59 55.74 2.4560 6 2 0 8
36.89 10.83 2.4367 5 0 3 8
36.96 2.10 2.4319 3 2 4 16
37.36 1.40 2.4073 5 1 3 16
37.87 1.02 2.3760 5 4 1 16
37.96 6.41 2.3702 6 0 2 8
38.35 9.09 2.3472 4 0 4 8
38.42 3.80 2.3431 6 1 2 16
38.64 1.78 2.3303 1 0 5 8
38.73 4.75 2.3250 5 2 3 16
38.80 7.68 2.3208 4 1 4 16
39.25 5.63 2.2953 3 3 4 8
39.67 2.40 2.2721 6 3 1 16
40.41 2.68 2.2320 2 1 5 16
40.93 4.17 2.2048 5 3 3 16
41.09 10.33 2.1967 7 1 0 8
41.41 5.75 2.1807 7 0 1 8
41.83 5.54 2.1595 7 1 1 16
42.12 2.39 2.1452 3 0 5 8
42.21 2.55 2.1410 6 1 3 16
42.28 2.51 2.1378 4 3 4 16
42.54 13.88 2.1250 3 1 5 16
42.67 10.01 2.1189 6 4 1 16
43.09 1.55 2.0995 7 2 1 16
43.45 7.39 2.0825 6 2 3 16
43.86 2.58 2.0640 5 4 3 16
43.93 1.86 2.0611 5 2 4 16
43.99 4.18 2.0583 7 1 2 16
44.42 11.80 2.0396 7 3 0 8
44.80 4.26 2.0231 6 4 2 16
45.11 5.81 2.0097 7 3 1 16
45.20 1.04 2.0062 7 2 2 16
45.47 8.81 1.9948 6 3 3 16
46.30 7.81 1.9611 6 5 1 16
47.09 1.83 1.9297 6 1 4 16
47.15 2.72 1.9274 7 3 2 16
47.42 4.92 1.9173 7 1 3 16
47.76 3.30 1.9042 2 0 6 8
47.84 1.02 1.9014 8 1 1 16
47.84 1.27 1.9014 7 4 1 16
48.14 2.36 1.8901 2 1 6 16
48.24 2.78 1.8865 6 2 4 16
48.30 1.24 1.8844 6 5 2 16
48.32 7.77 1.8837 8 2 0 8
48.48 2.23 1.8777 5 0 5 8
48.48 2.73 1.8777 4 3 5 16
48.86 3.10 1.8642 5 1 5 16
50.01 1.98 1.8238 3 1 6 16
50.55 1.33 1.8057 7 5 0 8
50.89 1.40 1.7942 8 2 2 16
51.92 1.43 1.7611 5 5 4 8
51.92 12.69 1.7611 7 1 4 16
52.19 1.47 1.7527 4 0 6 8
52.33 1.08 1.7482 6 6 2 8
52.64 1.22 1.7389 6 4 4 16
53.41 2.63 1.7153 9 1 0 8
53.92 1.30 1.7006 6 2 5 16
54.74 12.01 1.6770 7 3 4 16
54.85 1.24 1.6738 1 0 7 8
55.13 3.86 1.6658 8 4 2 16
55.34 23.29 1.6602 4 3 6 16
55.68 1.44 1.6508 5 1 6 16
56.22 1.23 1.6362 2 1 7 16
56.70 21.69 1.6235 5 2 6 16
56.77 1.52 1.6217 9 3 1 16
56.79 7.94 1.6212 8 0 4 8
56.84 30.21 1.6199 9 2 2 16
58.37 1.83 1.5809 5 3 6 16
58.86 5.90 1.5691 7 7 0 4
59.36 9.61 1.5569 6 1 6 16
59.45 8.97 1.5549 6 6 4 8
59.51 1.22 1.5533 8 6 0 8
59.72 1.01 1.5484 7 6 3 16
59.98 1.36 1.5423 7 3 5 16
60.10 4.16 1.5395 7 5 4 16
60.34 3.01 1.5339 6 2 6 16
60.40 2.32 1.5325 10 1 1 16
60.81 7.33 1.5231 10 2 0 8
61.46 4.75 1.5087 9 5 0 8
61.95 3.04 1.4979 6 3 6 16
62.03 8.17 1.4961 8 4 4 16
62.08 3.29 1.4950 10 1 2 16
62.67 1.08 1.4824 9 1 4 16
63.04 1.25 1.4747 10 2 2 16
63.11 4.74 1.4731 0 0 8 2
63.62 1.68 1.4625 7 6 4 16
65.76 1.79 1.4201 10 2 3 16
66.49 1.38 1.4063 11 1 0 8
67.65 8.89 1.3849 7 7 4 8
68.26 1.49 1.3740 8 6 4 16
68.32 2.59 1.3729 8 8 0 4
68.51 2.02 1.3695 8 7 3 16
68.93 2.37 1.3623 11 3 0 8
69.52 1.22 1.3522 10 5 2 16
69.52 1.21 1.3522 11 2 2 16
70.07 11.24 1.3429 9 5 4 16
70.47 1.27 1.3363 7 1 7 16
70.73 1.50 1.3319 10 6 0 8
71.08 2.06 1.3262 5 1 8 16
72.87 5.35 1.2981 4 4 8 8
73.05 1.03 1.2953 10 4 4 16
73.09 6.42 1.2946 11 4 2 16
74.15 7.35 1.2788 9 2 6 16
74.81 3.02 1.2691 11 1 4 16
74.90 1.08 1.2677 8 1 7 16
75.21 5.86 1.2633 6 2 8 16
75.32 1.11 1.2618 8 5 6 16
75.44 2.19 1.2601 12 1 2 16
75.78 1.08 1.2553 8 2 7 16
77.77 1.70 1.2280 12 4 0 8
78.28 3.05 1.2214 12 4 1 16
79.42 2.16 1.2066 4 3 9 16
80.20 1.47 1.1969 10 5 5 16
82.35 1.04 1.1710 12 5 2 16
85.12 1.08 1.1398 6 3 9 16
85.24 1.17 1.1386 10 1 7 16
87.23 1.22 1.1176 9 1 8 16
88.03 1.59 1.1095 14 0 0 4
88.54 2.05 1.1045 13 1 4 16
88.54 2.24 1.1045 11 7 4 16
88.80 4.11 1.1019 4 3 10 16
89.03 4.05 1.0996 11 4 6 16
89.16 1.12 1.0983 14 2 0 8
89.49 1.16 1.0951 9 3 8 16
89.93 3.26 1.0910 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.