Calcioaravaipaite
Kampf A R, Merlino S, Pasero M
American Mineralogist 88 (2003) 430-435
Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]:
The crystal structure of the triclinic MDO polytype
_database_code_amcsd 0002987
CELL PARAMETERS: 7.7220 7.5160 12.2060 98.860 96.910 90.000
SPACE GROUP: C-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 694.757
Density (g/cm3): 4.639
MAX. ABS. INTENSITY / VOLUME**2: 44.64710407
RIR: 3.134
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
7.38 100.00 11.9706 0 0 1 2
14.80 1.31 5.9853 0 0 2 2
16.46 2.74 5.3840 -1 1 0 2
16.98 9.54 5.2229 -1 -1 1 2
17.88 4.12 4.9605 1 -1 1 2
18.25 17.56 4.8614 -1 1 1 2
19.64 11.55 4.5199 1 1 1 2
20.14 23.97 4.4087 -1 -1 2 2
21.90 17.59 4.0576 1 -1 2 2
22.28 7.23 3.9902 0 0 3 2
22.51 27.02 3.9502 -1 1 2 2
23.21 45.47 3.8323 2 0 0 2
23.50 10.52 3.7861 -2 0 1 2
23.97 31.45 3.7126 0 -2 1 2
23.97 31.15 3.7125 0 2 0 2
24.55 20.30 3.6267 1 1 2 2
25.22 23.61 3.5312 -1 -1 3 2
25.25 44.89 3.5272 2 0 1 2
26.04 2.13 3.4222 -2 0 2 2
26.21 17.42 3.4000 0 -2 2 2
26.21 17.36 3.3998 0 2 1 2
27.46 17.98 3.2479 1 -1 3 2
28.19 14.66 3.1652 -1 1 3 2
29.86 21.31 2.9927 0 0 4 2
30.23 9.45 2.9564 0 -2 3 2
30.23 9.56 2.9561 0 2 2 2
30.31 22.54 2.9492 -2 0 3 2
30.59 12.93 2.9227 1 1 3 2
31.36 5.76 2.8525 -1 -1 4 2
33.28 14.35 2.6920 -2 -2 1 2
33.28 14.62 2.6920 -2 2 0 2
33.88 6.94 2.6462 1 -1 4 2
33.93 12.02 2.6417 2 -2 1 2
33.94 11.71 2.6416 2 2 0 2
34.34 1.71 2.6115 -2 -2 2 2
34.34 1.66 2.6114 -2 2 1 2
35.49 2.54 2.5296 0 -2 4 2
35.49 2.61 2.5293 0 2 3 2
35.75 7.18 2.5117 -2 0 4 2
36.22 2.12 2.4803 2 -2 2 2
36.22 2.07 2.4802 2 2 1 2
36.94 3.91 2.4335 -3 -1 1 2
36.99 1.48 2.4300 -3 1 0 2
37.28 5.16 2.4122 -3 1 1 2
37.30 2.19 2.4108 1 1 4 2
37.57 15.17 2.3941 0 0 5 2
37.99 5.53 2.3684 -1 3 0 2
38.00 4.90 2.3680 -3 -1 2 2
38.27 2.46 2.3518 3 -1 1 2
38.43 1.95 2.3423 1 3 0 2
38.61 11.52 2.3318 -1 -3 2 2
39.09 5.32 2.3044 -3 1 2 2
39.33 2.96 2.2908 1 -3 2 2
39.46 7.84 2.2836 3 1 1 2
39.60 12.64 2.2758 -1 3 1 2
40.44 5.25 2.2306 2 0 4 2
40.52 7.12 2.2262 -3 -1 3 2
40.58 3.49 2.2229 1 3 1 2
40.93 8.36 2.2049 -1 -3 3 2
40.98 10.52 2.2021 3 -1 2 2
41.59 6.37 2.1713 0 -2 5 2
41.60 6.26 2.1711 0 2 4 2
41.70 1.73 2.1660 -1 1 5 2
41.99 4.73 2.1516 -2 0 5 2
42.16 3.76 2.1436 1 -3 3 2
42.27 7.89 2.1381 -3 1 3 2
42.58 4.39 2.1232 -1 3 2 2
42.81 8.29 2.1121 3 1 2 2
44.03 4.98 2.0566 1 3 2 2
44.30 5.45 2.0448 -3 -1 4 2
44.52 2.83 2.0353 -1 -3 4 2
44.67 12.85 2.0288 2 -2 4 2
44.67 13.06 2.0287 2 2 3 2
44.92 4.90 2.0179 3 -1 3 2
45.36 2.76 1.9993 -1 -1 6 2
45.46 4.49 1.9951 0 0 6 2
45.95 14.73 1.9752 -2 -2 5 2
45.95 14.90 1.9751 -2 2 4 2
46.17 6.13 1.9662 1 -3 4 2
46.59 1.71 1.9495 -3 1 4 2
46.72 1.80 1.9442 -1 3 3 2
47.11 7.76 1.9291 -4 0 1 2
47.15 7.33 1.9277 2 0 5 2
47.28 2.78 1.9227 3 1 3 2
48.06 1.21 1.8931 -4 0 2 2
48.21 2.09 1.8874 1 -1 6 2
48.32 5.10 1.8835 0 -2 6 2
48.33 4.90 1.8833 0 2 5 2
48.45 15.62 1.8790 0 -4 1 2
48.56 5.57 1.8750 1 3 3 2
48.83 2.79 1.8651 -2 0 6 2
49.05 5.59 1.8571 4 0 1 2
49.13 3.48 1.8546 -1 1 6 2
49.86 1.70 1.8291 3 -1 4 2
50.25 3.22 1.8157 -4 0 3 2
50.88 1.83 1.7947 -3 3 0 2
51.14 3.17 1.7861 -3 -3 2 2
51.16 3.18 1.7856 1 -3 5 2
51.71 3.56 1.7679 -3 3 1 2
52.05 2.91 1.7570 1 1 6 2
52.57 3.15 1.7410 -3 -3 3 2
52.98 3.22 1.7284 -1 -1 7 2
53.39 3.36 1.7160 -4 2 0 2
53.39 3.35 1.7160 -4 -2 1 2
53.56 2.83 1.7111 -4 0 4 2
53.71 2.51 1.7064 -3 3 2 2
54.09 1.31 1.6955 3 3 1 2
54.29 7.30 1.6898 4 -2 1 2
54.29 7.30 1.6898 4 2 0 2
54.38 2.81 1.6871 2 -4 1 2
54.38 2.73 1.6871 -2 -4 1 2
54.76 2.62 1.6764 -3 -1 6 2
55.13 1.69 1.6659 -3 -3 4 2
55.40 4.64 1.6584 2 -4 2 2
55.40 4.62 1.6583 2 4 0 2
55.58 1.86 1.6535 3 -3 3 2
55.82 1.08 1.6471 -2 -4 3 2
55.82 1.02 1.6470 -2 4 1 2
55.98 2.86 1.6427 1 -1 7 2
56.68 2.78 1.6240 2 -2 6 2
56.68 2.66 1.6239 2 2 5 2
56.94 2.38 1.6173 -1 1 7 2
57.33 2.40 1.6070 3 3 2 2
57.68 4.25 1.5982 -4 -2 4 2
57.68 4.23 1.5982 -4 2 3 2
57.71 1.93 1.5975 -1 3 5 2
57.86 1.30 1.5937 -4 0 5 2
57.86 3.35 1.5936 -3 1 6 2
57.95 3.03 1.5914 0 -4 5 2
57.96 3.07 1.5913 0 4 3 2
58.22 1.18 1.5847 -2 -4 4 2
58.22 1.21 1.5847 -2 4 2 2
59.32 2.36 1.5578 3 -3 4 2
60.01 2.24 1.5416 1 1 7 2
60.13 1.49 1.5387 1 3 5 2
60.91 3.24 1.5209 -1 -3 7 2
60.99 1.38 1.5192 -1 -1 8 2
61.13 2.58 1.5160 -3 -1 7 2
61.25 1.64 1.5132 -4 -2 5 2
61.26 1.67 1.5132 -4 2 4 2
61.55 1.62 1.5066 3 3 3 2
61.64 1.31 1.5046 -2 -4 5 2
61.65 1.30 1.5045 -2 4 3 2
62.02 2.37 1.4963 0 0 8 2
62.19 1.40 1.4928 -5 1 2 2
62.87 1.05 1.4782 0 -4 6 2
62.88 1.06 1.4781 0 4 4 2
63.01 1.66 1.4751 -5 -1 3 2
63.47 2.31 1.4657 1 -3 7 2
64.10 1.43 1.4527 -5 1 3 2
64.15 1.26 1.4518 1 -1 8 2
64.30 3.38 1.4488 -1 3 6 2
64.57 1.65 1.4434 -3 1 7 2
64.88 1.23 1.4371 2 -4 5 2
64.89 1.23 1.4370 2 4 3 2
65.16 1.20 1.4317 5 -1 2 2
65.24 1.14 1.4301 -1 5 1 2
65.56 2.14 1.4238 3 1 6 2
65.88 1.12 1.4178 -3 3 5 2
66.06 1.17 1.4143 4 0 5 2
66.13 1.01 1.4129 1 5 1 2
66.44 1.40 1.4072 -1 -5 4 2
66.70 1.57 1.4024 5 1 2 2
66.98 1.94 1.3972 1 3 6 2
67.52 1.08 1.3873 1 -5 4 2
67.83 2.25 1.3816 -1 -3 8 2
67.89 1.02 1.3805 -1 5 2 2
68.45 1.66 1.3707 4 -2 5 2
68.45 1.68 1.3707 4 2 4 2
68.47 1.41 1.3703 5 -1 3 2
68.67 1.77 1.3668 -3 -3 7 2
69.20 2.65 1.3576 3 -1 7 2
69.88 1.95 1.3460 -4 -4 2 2
69.88 1.92 1.3460 -4 4 0 2
69.91 1.21 1.3456 2 -4 6 2
69.91 1.21 1.3455 2 4 4 2
70.64 1.07 1.3335 1 -3 8 2
71.42 2.01 1.3209 4 -4 2 2
71.42 2.00 1.3208 4 4 0 2
71.54 1.05 1.3188 -1 3 7 2
71.67 1.96 1.3167 -3 3 6 2
72.30 1.04 1.3068 -2 0 9 2
73.01 2.07 1.2959 3 1 7 2
73.42 1.10 1.2897 -5 3 2 2
74.24 1.50 1.2774 6 0 0 2
74.86 1.59 1.2684 -3 -3 8 2
75.53 1.25 1.2588 3 -5 3 2
76.09 1.54 1.2510 0 -6 2 2
76.09 1.55 1.2510 0 -6 1 2
76.79 1.10 1.2413 3 5 1 2
76.98 1.10 1.2387 3 -1 8 2
77.61 1.64 1.2302 -6 0 4 2
78.73 1.03 1.2154 -4 -4 6 2
78.74 1.01 1.2154 -4 4 4 2
79.87 1.46 1.2010 6 -2 1 2
79.87 1.47 1.2010 6 2 0 2
80.18 1.86 1.1971 0 0 10 2
80.37 1.09 1.1947 0 -2 10 2
80.38 1.10 1.1947 0 2 9 2
80.64 1.30 1.1914 -2 -6 2 2
80.64 1.30 1.1914 2 -6 1 2
81.22 1.05 1.1844 -2 0 10 2
81.25 1.05 1.1840 -6 -2 4 2
81.25 1.05 1.1840 -6 2 3 2
83.23 1.91 1.1609 -4 0 9 2
88.74 1.31 1.1025 -2 -6 6 2
88.74 1.30 1.1024 -2 6 3 2
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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.