Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #7 based on stacking sequence ABABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003003
CELL PARAMETERS: 13.0639 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2_1ca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 271.529
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.00442908
RIR: 0.564
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.28 4.4188 2 1 0 2
27.31 4.32 3.2660 4 0 0 1
29.78 9.18 3.0000 0 2 0 2
29.78 12.97 3.0000 0 1 1 4
30.57 28.11 2.9239 1 1 1 4
40.37 10.69 2.2344 1 2 1 4
40.84 30.30 2.2094 4 2 0 2
40.84 12.88 2.2094 4 1 1 4
42.18 71.84 2.1423 2 2 1 4
44.25 100.00 2.0467 6 1 0 2
45.07 33.48 2.0114 3 2 1 4
46.07 6.30 1.9703 5 1 1 4
52.86 1.19 1.7321 0 3 1 4
53.36 14.27 1.7170 1 3 1 4
53.36 7.13 1.7170 1 0 2 2
53.50 7.86 1.7126 5 2 1 4
55.68 3.83 1.6508 1 1 2 4
56.34 4.58 1.6330 8 0 0 1
57.12 27.40 1.6126 2 1 2 4
57.24 41.34 1.6094 3 3 1 4
57.24 20.67 1.6094 3 0 2 2
58.22 4.47 1.5847 7 1 1 4
58.79 3.56 1.5706 6 2 1 4
59.46 13.51 1.5545 3 1 2 4
60.50 31.55 1.5302 4 3 1 4
60.50 15.77 1.5302 4 0 2 2
61.85 1.33 1.5000 0 2 2 4
62.31 3.02 1.4902 1 2 2 4
64.55 16.32 1.4436 5 3 1 4
64.55 8.16 1.4436 5 0 2 2
65.03 6.32 1.4343 8 1 1 4
66.63 3.76 1.4036 5 1 2 4
68.55 1.92 1.3689 1 4 1 4
68.88 5.52 1.3631 4 4 0 2
68.88 2.45 1.3631 4 2 2 4
69.83 14.28 1.3469 2 4 1 4
71.33 1.93 1.3222 6 1 2 4
71.94 7.08 1.3125 3 4 1 4
72.69 1.38 1.3009 5 2 2 4
74.30 2.69 1.2765 10 1 0 2
74.78 11.62 1.2695 7 3 1 4
74.78 5.81 1.2695 7 0 2 2
78.19 5.00 1.2226 9 2 1 4
78.55 2.20 1.2178 5 4 1 4
80.91 22.00 1.1882 8 3 1 4
80.91 11.00 1.1882 8 0 2 2
82.50 1.42 1.1692 7 2 2 4
83.00 1.25 1.1635 6 4 1 4
85.85 3.66 1.1320 10 2 1 4
86.07 1.07 1.1296 1 5 1 4
86.07 1.07 1.1296 1 4 2 4
87.73 18.72 1.1125 9 3 1 4
87.73 9.36 1.1125 9 0 2 2
88.51 2.57 1.1047 8 2 2 4
89.62 3.39 1.0939 9 1 2 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.