Thomsenolite
Adhikesavalu D, Cameron T S, Knop O
Canadian Journal of Chemistry 63 (1985) 3322-3327
Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite
_database_code_amcsd 0012167
CELL PARAMETERS: 5.5630 5.5410 16.1150 90.000 96.350 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 493.691
Density (g/cm3): 2.987
MAX. ABS. INTENSITY / VOLUME**2: 5.691134784
RIR: 0.620
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.05 12.64 8.0081 0 0 2 2
16.93 2.20 5.2365 0 1 1 4
20.50 4.09 4.3314 1 0 2 2
22.20 43.29 4.0040 0 0 4 2
22.72 100.00 3.9138 1 1 0 4
22.97 13.03 3.8725 -1 1 1 4
23.13 3.24 3.8446 0 1 3 4
24.52 1.90 3.6302 -1 1 2 4
25.99 7.29 3.4280 -1 0 4 2
26.11 18.18 3.4125 1 1 2 4
27.18 15.43 3.2813 -1 1 3 4
27.48 14.54 3.2454 0 1 4 4
28.94 5.02 3.0849 1 0 4 2
29.33 11.88 3.0448 1 1 3 4
30.67 60.84 2.9152 -1 1 4 4
32.28 3.16 2.7732 0 1 5 4
32.31 8.55 2.7705 0 2 0 2
32.39 32.69 2.7644 2 0 0 2
32.81 19.88 2.7300 0 2 1 4
33.24 17.83 2.6953 1 1 4 4
34.77 3.22 2.5798 -1 1 5 4
35.51 4.32 2.5283 2 0 2 2
36.19 9.09 2.4820 -2 1 1 4
36.27 8.12 2.4769 1 2 0 4
36.32 2.15 2.4737 2 1 0 4
36.43 2.13 2.4664 -1 2 1 4
36.96 6.25 2.4323 -2 1 2 4
37.00 9.79 2.4297 1 2 1 4
37.33 5.91 2.4090 2 1 1 4
37.43 5.23 2.4025 -2 0 4 2
37.47 2.36 2.4001 -1 2 2 4
38.57 2.88 2.3343 -2 1 3 4
39.06 6.31 2.3061 1 0 6 2
39.33 14.47 2.2906 -1 2 3 4
39.34 1.08 2.2903 -1 1 6 4
39.56 11.81 2.2783 0 2 4 4
40.92 2.38 2.2055 1 2 3 4
40.94 2.09 2.2043 -2 1 4 4
41.71 26.10 2.1657 2 0 4 2
41.74 10.58 2.1642 2 1 3 4
41.93 5.04 2.1548 -1 2 4 4
42.46 7.22 2.1290 1 1 6 4
42.76 1.41 2.1148 0 1 7 4
43.17 26.40 2.0955 0 2 5 4
43.93 11.11 2.0613 1 2 4 4
43.98 2.04 2.0589 -2 1 5 4
44.50 3.51 2.0361 -2 0 6 2
44.94 5.81 2.0171 2 1 4 4
45.15 22.99 2.0082 -1 2 5 4
45.30 35.68 2.0020 0 0 8 2
46.30 52.59 1.9610 -2 2 1 4
46.40 36.10 1.9569 2 2 0 4
46.50 34.81 1.9528 -1 0 8 2
46.93 4.56 1.9362 -2 2 2 4
47.23 15.14 1.9244 2 2 1 4
47.29 3.59 1.9223 0 2 6 4
47.50 1.38 1.9141 1 2 5 4
47.58 8.30 1.9111 -2 1 6 4
48.34 16.97 1.8829 0 1 8 4
48.68 5.90 1.8703 2 1 5 4
48.76 3.82 1.8675 2 2 2 4
49.49 3.01 1.8418 -1 1 8 4
49.51 4.39 1.8411 -3 0 2 2
49.69 1.81 1.8348 0 3 1 4
50.06 7.77 1.8222 2 0 6 2
50.15 4.31 1.8191 1 0 8 2
50.27 2.90 1.8151 -2 2 4 4
50.94 8.72 1.7926 2 2 3 4
51.82 12.19 1.7642 0 2 7 4
52.00 3.09 1.7585 -3 1 1 4
52.14 2.27 1.7541 3 0 2 2
52.22 4.51 1.7518 1 3 0 4
52.30 2.86 1.7492 -3 0 4 2
52.31 3.30 1.7488 3 1 0 4
52.34 14.66 1.7481 -1 3 1 4
52.37 5.21 1.7471 -3 1 2 4
52.88 1.48 1.7313 -2 2 5 4
53.39 8.12 1.7160 -3 1 3 4
53.46 10.12 1.7140 -2 0 8 2
53.72 1.72 1.7062 2 2 4 4
53.97 2.77 1.6990 1 3 2 4
54.13 1.50 1.6943 0 1 9 4
54.56 7.58 1.6821 -1 3 3 4
54.90 13.61 1.6723 3 1 2 4
55.05 6.06 1.6681 -3 1 4 4
55.80 16.93 1.6475 1 3 3 4
56.05 9.32 1.6407 1 2 7 4
56.17 8.23 1.6375 -2 1 8 4
57.04 1.28 1.6146 2 2 5 4
57.12 2.62 1.6126 3 1 3 4
57.31 3.70 1.6075 -3 1 5 4
57.51 2.48 1.6025 2 1 7 4
57.54 1.16 1.6017 -3 0 6 2
57.55 2.25 1.6016 0 0 10 2
57.61 1.81 1.6001 0 3 5 4
59.22 2.33 1.5602 -1 3 5 4
59.73 1.18 1.5482 -2 2 7 4
59.90 1.90 1.5442 3 1 4 4
60.04 2.94 1.5410 -3 2 1 4
60.14 3.11 1.5387 -3 1 6 4
60.14 2.13 1.5386 0 1 10 4
60.85 1.44 1.5224 2 2 6 4
60.93 6.93 1.5206 1 2 8 4
61.21 1.58 1.5143 3 2 1 4
61.98 1.45 1.4973 0 2 9 4
62.09 1.22 1.4948 1 0 10 2
62.69 2.21 1.4820 3 2 2 4
62.76 2.34 1.4804 -1 2 9 4
63.86 5.77 1.4576 -2 2 8 4
64.12 2.17 1.4524 2 3 3 4
64.74 3.17 1.4400 3 2 3 4
65.10 1.27 1.4328 2 2 7 4
65.80 1.91 1.4192 -2 3 5 4
66.38 1.87 1.4082 0 1 11 4
67.48 3.93 1.3881 -4 0 2 2
67.63 1.35 1.3852 0 4 0 2
67.80 3.01 1.3822 4 0 0 2
67.92 8.70 1.3801 0 4 1 4
68.43 3.69 1.3711 -2 2 9 4
68.60 1.01 1.3680 -2 3 6 4
68.60 1.80 1.3680 1 3 7 4
69.79 3.23 1.3477 2 2 8 4
70.02 2.75 1.3437 1 4 0 4
70.19 1.75 1.3408 0 4 3 4
70.39 2.37 1.3375 4 0 2 2
70.70 1.90 1.3324 -3 2 7 4
70.76 5.34 1.3314 -1 0 12 2
71.57 2.09 1.3184 -3 1 9 4
71.75 1.78 1.3155 1 2 10 4
72.19 2.15 1.3086 -3 3 1 4
72.73 2.27 1.3002 4 1 2 4
72.90 2.80 1.2976 0 1 12 4
73.10 1.20 1.2946 -1 1 12 4
73.26 1.83 1.2921 3 3 1 4
73.34 1.04 1.2908 -3 3 3 4
73.56 4.36 1.2875 2 1 10 4
74.34 2.91 1.2759 -3 2 8 4
74.88 3.56 1.2681 2 2 9 4
75.19 1.51 1.2637 1 4 4 4
76.07 1.21 1.2512 -1 4 5 4
76.68 1.42 1.2427 -3 3 5 4
76.69 2.73 1.2426 -4 2 1 4
76.86 2.09 1.2404 2 3 7 4
76.92 4.78 1.2395 -2 4 1 4
77.00 1.50 1.2385 2 4 0 4
77.44 1.98 1.2325 4 1 4 4
77.71 4.61 1.2289 1 2 11 4
77.82 1.29 1.2274 1 4 5 4
78.13 2.62 1.2234 3 2 7 4
78.46 2.25 1.2189 -3 2 9 4
79.65 1.18 1.2038 2 1 11 4
79.75 1.09 1.2024 0 2 12 4
79.85 1.05 1.2013 -4 0 8 2
79.97 6.12 1.1997 -2 3 9 4
80.47 1.03 1.1935 2 4 3 4
81.17 1.58 1.1850 0 4 7 4
81.45 1.84 1.1816 -3 1 11 4
82.09 2.54 1.1740 -4 1 8 4
82.22 2.45 1.1725 -1 4 7 4
83.92 1.09 1.1530 2 0 12 2
84.07 1.59 1.1514 1 2 12 4
84.20 1.35 1.1499 4 1 6 4
84.40 4.23 1.1477 3 0 10 2
84.61 2.00 1.1453 1 4 7 4
84.79 3.28 1.1434 0 3 11 4
85.14 1.16 1.1396 -1 3 11 4
85.44 1.68 1.1363 2 4 5 4
86.44 1.25 1.1257 0 2 13 4
87.26 2.82 1.1173 4 2 5 4
88.66 1.37 1.1032 -4 3 3 4
88.78 1.52 1.1021 1 4 8 4
89.10 1.88 1.0989 -3 4 3 4
89.70 1.29 1.0931 0 4 9 4
89.96 1.64 1.0906 -2 3 11 4
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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.