Nacaphite
Sokolova E V, Kabalov Y K, Ferraris G, Schneider J, Khomyakov A P
The Canadian Mineralogist 37 (1999) 83-90
Modular approach in solving the crystal structure of a synthetic dimorph of
nacaphite, Na2Ca[PO4]F, from powder-diffraction data
_database_code_amcsd 0005594
CELL PARAMETERS: 7.0179 7.0179 40.5600 90.000 90.000 120.000
SPACE GROUP: R3m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1729.987
Density (g/cm3): 2.880
MAX. ABS. INTENSITY / VOLUME**2: 6.393307901
RIR: 0.723
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
6.54 4.82 13.5200 0 0 3 1
13.10 2.51 6.7600 0 0 6 1
14.74 1.45 6.0106 1 0 1 3
15.22 2.90 5.8219 0 1 2 3
18.24 2.10 4.8640 0 1 5 3
19.70 1.49 4.5067 0 0 9 1
21.19 16.40 4.1938 1 0 7 3
22.84 34.49 3.8932 0 1 8 3
25.38 43.05 3.5089 1 1 0 6
26.42 2.43 3.3737 1 0 10 3
29.48 84.28 3.0303 0 2 1 3
29.73 18.13 3.0053 2 0 2 3
30.71 3.93 2.9109 0 2 4 3
31.44 6.16 2.8457 2 0 5 3
32.25 2.91 2.7756 1 0 13 3
32.33 1.57 2.7687 1 1 9 6
33.13 88.45 2.7040 0 0 15 1
33.29 82.82 2.6912 0 2 7 3
34.29 1.25 2.6152 0 1 14 3
34.41 100.00 2.6065 2 0 8 3
36.93 4.86 2.4343 1 1 12 6
36.96 4.13 2.4320 0 2 10 3
38.38 8.58 2.3451 2 0 11 3
38.48 1.11 2.3396 1 0 16 3
39.28 13.41 2.2935 2 1 1 6
39.48 3.70 2.2826 1 2 2 6
40.25 1.38 2.2404 2 1 4 6
40.83 1.96 2.2102 1 2 5 6
41.48 23.89 2.1769 0 2 13 3
42.19 14.48 2.1418 1 1 15 6
42.32 11.34 2.1355 2 1 7 6
43.14 52.24 2.0969 2 0 14 3
43.24 2.43 2.0924 1 2 8 6
45.01 1.34 2.0141 1 0 19 3
45.37 1.01 1.9988 2 1 10 6
46.58 1.74 1.9497 1 2 11 6
46.66 17.41 1.9466 0 2 16 3
46.81 9.23 1.9406 0 3 6 3
46.81 5.32 1.9406 3 0 6 3
47.98 2.33 1.8961 1 1 18 6
49.32 4.93 1.8478 0 3 9 3
49.32 1.94 1.8478 3 0 9 3
50.72 2.22 1.8000 1 2 14 6
51.82 1.54 1.7643 1 0 22 3
52.13 97.31 1.7545 2 2 0 6
52.38 1.04 1.7468 0 2 19 3
53.86 2.03 1.7022 2 1 16 6
54.15 1.89 1.6936 0 1 23 3
54.21 2.83 1.6920 1 1 21 6
54.39 2.60 1.6869 2 0 20 3
56.78 3.46 1.6213 0 3 15 3
56.78 4.41 1.6213 3 0 15 3
56.89 1.92 1.6185 1 3 7 6
57.63 2.90 1.5996 3 1 8 6
58.56 21.06 1.5762 0 2 22 3
60.72 16.16 1.5253 2 0 23 3
60.84 3.21 1.5226 1 1 24 6
61.03 2.23 1.5184 4 0 1 3
61.56 1.37 1.5065 0 3 18 3
61.75 1.11 1.5022 0 0 27 1
62.16 1.03 1.4934 0 4 5 3
62.64 1.30 1.4830 1 3 13 6
63.17 33.83 1.4718 2 2 15 6
63.27 12.55 1.4697 4 0 7 3
63.97 14.20 1.4555 0 4 8 3
66.63 1.33 1.4037 1 3 16 6
66.94 3.39 1.3979 0 3 21 3
66.94 1.11 1.3979 3 0 21 3
67.49 1.12 1.3878 2 0 26 3
68.71 1.53 1.3660 4 0 13 3
68.89 2.79 1.3630 0 1 29 3
69.32 1.44 1.3556 3 2 7 6
69.53 3.81 1.3520 0 0 30 1
69.91 4.15 1.3456 0 4 14 3
69.98 3.18 1.3444 2 3 8 6
71.08 2.52 1.3263 4 1 0 6
72.53 2.09 1.3033 4 0 16 3
72.89 1.78 1.2977 0 3 24 3
74.13 1.18 1.2791 1 0 31 3
74.71 2.79 1.2705 2 0 29 3
79.81 1.59 1.2017 0 2 31 3
80.38 1.34 1.1946 1 2 29 6
82.22 5.85 1.1725 4 0 22 3
82.46 1.01 1.1696 3 3 0 6
84.09 4.94 1.1511 0 4 23 3
85.00 1.23 1.1411 2 2 27 6
85.39 2.74 1.1369 2 1 31 6
86.35 4.08 1.1267 2 4 7 6
86.98 4.04 1.1202 4 2 8 6
89.68 1.17 1.0933 4 1 21 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.