Kuzelite
Allmann R
Neues Jahrbuch fur Mineralogie, Monatshefte 1977 (1977) 136-144
Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]-
Note: z(Wat1) adjusted to match reported bond lengths
_database_code_amcsd 0014757
CELL PARAMETERS: 5.7586 5.7586 26.7946 90.000 90.000 120.000
SPACE GROUP: R-3
X-RAY WAVELENGTH: 1.541838
Cell Volume: 769.506
Density (g/cm3): 2.057
MAX. ABS. INTENSITY / VOLUME**2: 15.71323837
RIR: 2.488
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.90 100.00 8.9315 0 0 3 2
18.09 3.09 4.9029 1 0 1 6
19.88 28.89 4.4658 0 0 6 2
22.22 34.37 4.0002 1 0 4 6
24.38 2.47 3.6508 0 1 5 6
31.06 25.63 2.8793 1 1 0 6
32.19 1.41 2.7805 0 1 8 6
32.68 9.30 2.7404 2 -1 3 6
36.66 16.90 2.4514 2 0 2 6
37.15 22.84 2.4199 2 -1 6 6
38.13 6.92 2.3604 1 0 10 6
38.52 8.14 2.3369 0 2 4 6
39.88 2.62 2.2608 2 0 5 6
40.39 2.10 2.2329 0 0 12 2
41.25 8.17 2.1887 0 1 11 6
43.31 1.23 2.0893 0 2 7 6
43.74 2.97 2.0697 1 1 9 6
43.74 13.80 2.0697 2 -1 9 6
45.34 5.00 2.0001 2 0 8 6
47.75 5.27 1.9048 1 0 13 6
48.79 1.56 1.8666 -1 3 2 6
49.96 11.48 1.8254 0 2 10 6
50.29 3.40 1.8145 3 -1 4 6
51.81 1.72 1.7645 2 -1 12 6
55.26 10.16 1.6624 3 0 0 6
55.98 1.42 1.6427 1 2 8 6
56.29 2.64 1.6343 0 3 3 6
56.29 2.68 1.6343 3 0 3 6
58.06 3.17 1.5887 0 2 13 6
58.10 1.14 1.5875 1 0 16 6
59.32 2.40 1.5579 0 3 6 6
60.01 2.61 1.5417 3 -1 10 6
60.01 1.17 1.5417 2 1 10 6
62.28 1.80 1.4907 1 2 11 6
64.75 3.92 1.4397 2 2 0 6
67.32 3.00 1.3910 2 1 13 6
67.32 1.28 1.3910 3 -1 13 6
67.36 1.62 1.3902 0 2 16 6
68.48 1.45 1.3702 2 2 6 6
69.23 1.58 1.3570 1 0 19 6
69.38 1.68 1.3546 1 3 4 6
76.02 1.44 1.2519 2 1 16 6
79.72 1.15 1.2028 4 -1 11 6
82.73 1.18 1.1665 2 -1 21 6
86.11 1.07 1.1292 2 1 19 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.