IMA2008-065
Ballirano P, Bonaccorsi E, Merlino S
The Canadian Mineralogist 36 (1998) 1285-1292
Carbonate groups in davyne: Structural and crystal-chemical considerations
_database_code_amcsd 0005578
CELL PARAMETERS: 12.6916 12.6916 5.3333 90.000 90.000 120.000
SPACE GROUP: P6_3
X-RAY WAVELENGTH: 1.541838
Cell Volume: 743.977
Density (g/cm3): 2.447
MAX. ABS. INTENSITY / VOLUME**2: 8.141172349
RIR: 1.083
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.04 11.09 10.9912 1 0 0 6
13.96 9.38 6.3458 1 1 0 6
18.49 94.74 4.7983 1 0 1 6
21.39 1.84 4.1543 2 1 0 6
21.77 1.04 4.0828 1 1 1 6
23.24 1.50 3.8273 2 0 1 6
24.29 100.00 3.6637 3 0 0 6
27.21 44.00 3.2774 1 2 1 6
27.21 45.60 3.2774 2 1 1 6
28.12 1.12 3.1729 2 2 0 6
29.30 4.51 3.0484 1 3 0 6
29.30 2.70 3.0484 3 1 0 6
29.58 8.52 3.0198 3 0 1 6
32.59 17.39 2.7478 4 0 0 6
33.61 41.85 2.6667 0 0 2 1
33.87 16.94 2.6466 1 3 1 6
33.87 9.60 2.6466 3 1 1 6
34.61 6.12 2.5915 1 0 2 6
36.55 3.79 2.4584 1 1 2 6
36.79 37.81 2.4427 4 0 1 6
37.50 4.15 2.3985 1 4 0 6
37.50 2.48 2.3985 4 1 0 6
39.53 1.28 2.2796 2 3 1 6
39.53 1.21 2.2796 3 2 1 6
41.06 3.23 2.1982 5 0 0 6
41.27 1.42 2.1875 4 1 1 6
41.90 2.67 2.1560 3 0 2 6
42.75 37.83 2.1153 3 3 0 6
44.38 7.96 2.0414 2 2 2 6
44.58 3.67 2.0324 5 0 1 6
45.18 2.87 2.0071 1 3 2 6
45.18 5.00 2.0071 3 1 2 6
47.51 15.14 1.9137 4 0 2 6
49.77 1.02 1.8322 2 3 2 6
49.77 1.14 1.8322 3 2 2 6
50.51 1.95 1.8069 4 3 0 6
51.23 13.00 1.7833 1 4 2 6
51.23 10.41 1.7833 4 1 2 6
51.96 1.76 1.7600 2 5 0 6
52.12 4.84 1.7550 1 0 3 6
52.84 1.35 1.7325 6 0 1 6
53.55 3.81 1.7114 3 4 1 6
53.55 6.43 1.7114 4 3 1 6
55.45 2.55 1.6572 3 3 2 6
56.29 3.08 1.6344 1 2 3 6
56.29 3.07 1.6344 2 1 3 6
57.65 1.90 1.5990 6 1 1 6
58.15 5.75 1.5864 4 4 0 6
58.81 1.48 1.5702 5 3 0 6
60.26 3.19 1.5357 1 3 3 6
60.26 1.93 1.5357 3 1 3 6
61.40 4.60 1.5099 6 0 2 6
61.57 1.07 1.5063 3 5 1 6
61.57 2.85 1.5063 5 3 1 6
61.57 6.06 1.5063 7 0 1 6
62.04 2.20 1.4959 3 4 2 6
62.04 2.48 1.4959 4 3 2 6
62.19 7.07 1.4926 4 0 3 6
63.48 1.85 1.4655 6 2 1 6
63.48 1.93 1.4655 2 6 1 6
63.95 3.89 1.4558 1 7 0 6
63.95 1.49 1.4558 7 1 0 6
68.27 1.43 1.3739 8 0 0 6
68.86 11.87 1.3634 4 4 2 6
69.47 1.14 1.3530 7 0 2 6
70.65 4.97 1.3333 0 0 4 1
70.82 10.46 1.3305 8 0 1 6
72.43 1.45 1.3048 1 1 4 6
74.22 7.83 1.2778 1 7 2 6
74.22 3.95 1.2778 7 1 2 6
74.94 1.39 1.2673 3 4 3 6
74.94 2.43 1.2673 4 3 3 6
75.95 2.96 1.2529 3 0 4 6
76.12 2.09 1.2506 1 8 1 6
77.70 2.75 1.2289 3 6 2 6
77.70 2.13 1.2289 6 3 2 6
78.29 2.51 1.2212 9 0 0 6
79.98 1.52 1.1996 4 0 4 6
81.85 2.11 1.1769 7 0 3 6
81.85 1.02 1.1769 5 3 3 6
86.23 1.75 1.1279 3 3 4 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.