Oxy-dravite
Gatta G D, Bosi F, McIntyre G J, Skogby H
Mineralogical Magazine 78 (2014) 681-692
First accurate location of two proton sites in tourmaline: A single-crystal
neutron diffraction study of oxy-dravite
Note: H1 site off the three-fold axis
Locality: Osarara, Narok District, Kenya
_database_code_amcsd 0020484
CELL PARAMETERS: 15.9272 15.9272 7.2001 90.000 90.000 120.000
SPACE GROUP: R3m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1581.787
Density (g/cm3): 3.073
MAX. ABS. INTENSITY / VOLUME**2: 7.659569321
RIR: 0.812
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.87 35.15 6.3828 1 0 1 3
17.81 18.21 4.9805 0 2 1 3
19.30 13.63 4.5978 3 0 0 3
21.04 56.85 4.2227 2 1 1 6
22.33 73.77 3.9818 2 2 0 6
25.57 49.93 3.4834 0 1 2 3
26.38 9.82 3.3783 1 3 1 6
28.70 2.62 3.1101 4 0 1 3
29.68 11.89 3.0100 4 1 0 6
30.17 68.54 2.9624 1 2 2 6
30.87 7.62 2.8970 3 2 1 6
34.20 5.40 2.6217 3 1 2 6
34.83 100.00 2.5761 0 5 1 3
36.07 1.09 2.4903 0 4 2 3
36.66 2.85 2.4510 2 4 1 6
37.47 9.20 2.4000 0 0 3 1
37.85 14.81 2.3768 2 3 2 6
38.43 17.73 2.3426 5 1 1 6
39.19 2.38 2.2989 6 0 0 3
40.86 1.05 2.2087 5 2 0 6
41.23 12.24 2.1897 5 0 2 3
41.76 11.68 2.1629 4 3 1 6
42.49 5.58 2.1276 0 3 3 3
42.49 5.68 2.1276 3 0 3 3
42.83 5.66 2.1113 4 2 2 6
44.05 11.89 2.0555 2 2 3 6
44.39 42.45 2.0408 1 5 2 6
44.89 8.28 2.0191 1 6 1 6
45.56 3.07 1.9909 4 4 0 6
47.38 29.52 1.9187 3 4 2 6
47.86 1.94 1.9006 3 5 1 6
48.51 6.35 1.8765 1 4 3 6
49.29 7.96 1.8487 6 2 1 6
49.92 1.09 1.8270 7 1 0 6
50.23 1.17 1.8162 6 1 2 6
51.18 2.36 1.7849 1 0 4 3
51.32 4.68 1.7803 3 3 3 6
52.54 1.93 1.7417 0 2 4 3
54.31 3.76 1.6892 2 6 2 6
55.34 16.76 1.6602 0 6 3 3
55.34 4.55 1.6602 6 0 3 3
56.05 14.00 1.6408 2 7 1 6
57.78 3.78 1.5957 4 0 4 3
57.90 17.66 1.5927 5 5 0 6
58.18 3.63 1.5855 4 5 2 6
58.60 2.53 1.5753 8 1 1 6
59.04 1.60 1.5646 3 2 4 6
59.85 4.20 1.5453 4 6 1 6
60.40 4.73 1.5326 9 0 0 3
60.68 5.53 1.5262 7 2 2 6
61.08 1.66 1.5170 7 3 1 6
61.51 16.18 1.5075 0 5 4 3
61.63 3.95 1.5050 8 2 0 6
62.73 4.33 1.4812 2 4 4 6
63.11 1.54 1.4731 1 8 2 6
63.93 16.83 1.4562 5 1 4 6
64.05 3.57 1.4537 1 7 3 6
64.05 1.10 1.4537 7 1 3 6
64.31 5.08 1.4485 6 4 2 6
65.13 3.72 1.4322 0 1 5 3
65.23 5.48 1.4303 7 4 0 6
65.89 1.78 1.4176 1 9 1 6
65.89 7.45 1.4176 6 5 1 6
66.30 12.07 1.4098 4 3 4 6
66.42 1.68 1.4076 3 6 3 6
66.42 4.17 1.4076 6 3 3 6
68.22 1.53 1.3747 3 8 1 6
69.37 10.83 1.3547 10 0 1 3
70.14 3.26 1.3418 5 6 2 6
70.91 1.16 1.3290 7 0 4 3
70.91 3.02 1.3290 3 5 4 6
70.92 2.98 1.3288 0 4 5 3
71.02 4.68 1.3273 6 6 0 6
71.03 4.57 1.3271 5 5 3 6
72.04 1.35 1.3109 6 2 4 6
72.06 2.31 1.3107 2 3 5 6
72.15 11.12 1.3092 10 1 0 6
72.41 2.82 1.3052 8 3 2 6
72.78 1.64 1.2995 5 7 1 6
73.53 1.75 1.2880 0 10 2 3
73.90 1.43 1.2825 8 4 1 6
74.30 11.92 1.2766 5 0 5 3
74.39 4.37 1.2752 9 3 0 6
74.40 2.39 1.2750 2 8 3 6
75.40 3.19 1.2606 5 4 4 6
77.23 4.14 1.2353 0 11 1 3
77.72 1.08 1.2287 7 4 3 6
77.96 2.04 1.2255 4 8 2 6
78.32 1.42 1.2207 2 10 1 6
78.72 2.60 1.2156 3 4 5 6
79.95 1.90 1.2000 0 0 6 1
80.90 1.51 1.1882 6 1 5 6
81.60 3.59 1.1799 11 1 1 6
83.20 1.50 1.1611 3 0 6 3
84.25 6.28 1.1493 10 1 3 6
86.29 1.13 1.1273 6 5 4 6
86.41 1.91 1.1261 9 3 3 6
89.52 2.50 1.0949 10 0 4 3
89.53 1.02 1.0947 7 2 5 6
89.66 1.55 1.0935 3 3 6 6
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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.