Tschermigite
Abdeen A M, Will G, Schafer W, Kirfel A, Bargouth M O, Recker K, Weiss A
Zeitschrift fur Kristallographie 157 (1981) 147-166
X-ray and neutron diffraction study of alums:
II. The crystal structure of methylammonium aluminium alum
III. The crystal structure of ammonium aluminium alum
Note: Neutron data
_database_code_amcsd 0010844
CELL PARAMETERS: 12.2480 12.2480 12.2480 90.000 90.000 90.000
SPACE GROUP: Pa3
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1837.365
Density (g/cm3): 1.639
MAX. ABS. INTENSITY / VOLUME**2: 4.107921676
RIR: 0.816
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.52 49.74 7.0714 1 1 1 8
14.46 6.67 6.1240 2 0 0 6
16.18 57.04 5.4775 2 1 0 12
17.74 31.73 5.0002 2 1 1 24
20.51 96.90 4.3303 2 2 0 12
21.77 71.97 4.0827 2 2 1 24
24.10 36.42 3.6929 3 1 1 24
26.23 1.92 3.3970 3 0 2 12
27.24 28.65 3.2734 3 2 1 24
27.24 71.35 3.2734 3 1 2 24
29.16 33.10 3.0620 4 0 0 6
30.08 16.72 2.9706 4 1 0 12
30.08 3.93 2.9706 3 2 2 24
30.98 16.29 2.8869 4 1 1 24
31.85 33.53 2.8099 3 3 1 24
32.70 4.87 2.7387 4 0 2 12
32.70 17.00 2.7387 4 2 0 12
33.53 1.61 2.6727 4 2 1 24
33.53 12.26 2.6727 4 1 2 24
34.34 13.78 2.6113 3 3 2 24
35.92 2.56 2.5001 4 2 2 24
37.44 5.60 2.4020 4 3 1 24
38.18 7.74 2.3571 3 3 3 8
38.18 2.15 2.3571 5 1 1 24
39.63 3.94 2.2744 4 3 2 24
39.63 1.19 2.2744 4 2 3 24
40.33 5.30 2.2362 5 1 2 24
42.39 7.20 2.1321 4 4 1 24
43.06 3.17 2.1005 4 3 3 24
43.72 9.00 2.0703 5 1 3 24
44.38 10.12 2.0413 6 0 0 6
45.02 7.23 2.0136 6 1 0 12
45.66 3.08 1.9869 6 1 1 24
45.66 7.05 1.9869 5 3 2 24
46.92 15.54 1.9366 6 0 2 12
46.92 3.05 1.9366 6 2 0 12
47.54 1.88 1.9128 6 1 2 24
48.15 1.10 1.8899 5 1 4 24
48.75 4.95 1.8678 5 3 3 24
49.36 1.22 1.8465 6 2 2 24
49.95 3.31 1.8258 5 4 2 24
49.95 1.61 1.8258 5 2 4 24
50.54 4.72 1.8059 6 3 1 24
52.86 2.64 1.7321 5 4 3 24
53.42 7.72 1.7151 7 1 1 24
53.99 4.35 1.6985 6 4 0 12
54.55 1.36 1.6824 6 4 1 24
56.20 2.78 1.6367 6 4 2 24
56.20 3.66 1.6367 6 2 4 24
56.75 5.99 1.6223 7 2 2 24
57.82 2.11 1.5946 7 3 1 24
57.82 1.61 1.5946 5 5 3 24
59.42 1.12 1.5555 6 5 1 24
61.51 1.59 1.5076 7 1 4 24
62.54 3.05 1.4853 8 0 2 12
62.54 2.13 1.4853 8 2 0 12
63.05 1.30 1.4745 7 2 4 24
64.56 3.82 1.4434 6 6 0 12
65.56 1.65 1.4238 7 4 3 24
66.06 2.21 1.4143 7 1 5 24
68.52 1.10 1.3694 8 0 4 12
69.01 3.10 1.3609 8 4 1 24
70.94 1.50 1.3285 7 0 6 12
71.42 1.00 1.3207 9 2 1 24
72.38 1.34 1.3056 6 6 4 24
77.55 1.03 1.2310 7 7 1 24
79.87 2.96 1.2010 8 6 2 24
88.09 1.06 1.1089 9 4 5 24
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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.