Mascagnite
Schlemper E O, Hamilton W C
Journal of Chemical Physics 44 (1966) 4498-4509
Neutron-diffraction study of the structures of ferroelectric and paraelectric
ammonium sulfate
Note: ferroelectric, T = 180 K
Locality: synthetic
_database_code_amcsd 0012987
CELL PARAMETERS: 7.8370 10.6100 5.9670 90.000 90.000 90.000
SPACE GROUP: Pna2_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 496.159
Density (g/cm3): 1.769
MAX. ABS. INTENSITY / VOLUME**2: 8.582958149
RIR: 1.580
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
16.71 11.20 5.3050 0 2 0 2
17.05 22.17 5.2009 0 1 1 2
20.21 43.21 4.3931 1 2 0 4
20.49 100.00 4.3335 1 1 1 4
22.69 30.87 3.9185 2 0 0 2
28.32 20.14 3.1519 2 2 0 4
28.52 22.51 3.1296 2 1 1 4
29.36 41.88 3.0424 0 3 1 2
29.95 29.01 2.9835 0 0 2 1
31.54 1.00 2.8362 1 3 1 4
32.12 2.01 2.7870 2 2 1 4
33.22 2.91 2.6967 1 1 2 4
33.79 13.72 2.6525 0 4 0 2
34.15 2.24 2.6254 2 3 0 4
34.49 4.67 2.6005 0 2 2 2
35.39 11.96 2.5366 3 1 0 4
36.40 1.71 2.4681 1 2 2 4
37.42 3.20 2.4031 2 3 1 4
38.57 7.76 2.3344 3 1 1 4
38.88 7.79 2.3165 2 1 2 4
38.89 6.89 2.3156 1 4 1 4
41.09 3.48 2.1966 2 4 0 4
41.23 2.80 2.1896 1 3 2 4
41.68 9.75 2.1667 2 2 2 4
43.05 3.12 2.1013 3 3 0 4
43.92 1.05 2.0613 2 4 1 4
46.05 5.09 1.9710 2 3 2 4
46.34 2.84 1.9592 4 0 0 2
46.90 3.71 1.9373 1 5 1 4
47.30 1.50 1.9218 1 4 2 4
47.96 3.70 1.8968 1 1 3 4
48.81 1.23 1.8660 2 5 0 4
51.53 1.33 1.7736 2 0 3 2
51.69 1.56 1.7683 0 6 0 2
52.81 2.64 1.7336 0 3 3 2
54.19 2.16 1.6927 1 3 3 4
55.81 2.05 1.6472 4 3 1 4
56.16 2.72 1.6377 4 0 2 2
57.15 1.51 1.6118 2 6 0 4
59.02 1.34 1.5652 3 1 3 4
59.40 1.02 1.5560 2 6 1 4
60.90 2.57 1.5212 0 6 2 2
61.82 3.05 1.5007 5 1 1 4
62.23 2.46 1.4918 0 0 4 1
62.50 1.08 1.4861 4 3 2 4
63.05 1.17 1.4744 2 4 3 4
63.31 1.77 1.4691 0 7 1 2
64.54 1.69 1.4439 1 7 1 4
65.65 1.20 1.4222 3 6 1 4
65.86 1.94 1.4181 2 6 2 4
69.74 1.22 1.3484 2 2 4 4
70.10 2.02 1.3424 5 2 2 4
74.03 1.15 1.2805 3 7 1 4
77.36 1.75 1.2335 5 5 1 4
78.16 1.63 1.2229 5 1 3 4
80.63 1.50 1.1915 1 7 3 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.