Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #6 based on stacking sequence ABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003002
CELL PARAMETERS: 13.0639 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: Pc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 271.529
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.00442922
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 3.24 3.0000 0 1 1 2
30.57 7.01 2.9239 1 1 1 2
30.57 15.96 2.9239 -1 1 1 2
32.85 2.28 2.7262 2 1 1 2
32.85 2.28 2.7262 -2 1 1 2
40.37 14.60 2.2344 1 2 1 2
40.37 1.51 2.2344 -1 2 1 2
40.84 30.30 2.2094 4 2 0 2
40.84 3.41 2.2094 -4 1 1 2
40.84 4.07 2.2094 4 1 1 2
42.18 26.74 2.1423 2 2 1 2
42.18 10.96 2.1423 -2 2 1 2
44.25 100.00 2.0467 6 1 0 2
45.07 1.47 2.0114 -3 2 1 2
45.07 35.81 2.0114 3 2 1 2
46.07 9.12 1.9703 5 1 1 2
46.07 3.12 1.9703 -5 1 1 2
48.89 5.57 1.8628 -4 2 1 2
48.89 5.57 1.8628 4 2 1 2
51.89 1.72 1.7621 -6 1 1 2
51.89 1.72 1.7621 6 1 1 2
53.36 6.37 1.7170 1 3 1 2
53.36 20.76 1.7170 -1 3 1 2
53.36 3.19 1.7170 -1 0 2 1
53.36 10.38 1.7170 1 0 2 1
53.50 6.36 1.7126 5 2 1 2
53.50 10.46 1.7126 -5 2 1 2
54.84 8.48 1.6742 2 3 1 2
54.84 8.48 1.6742 -2 3 1 2
54.84 4.24 1.6742 2 0 2 1
54.84 4.24 1.6742 -2 0 2 1
55.68 5.28 1.6508 -1 1 2 2
56.34 4.58 1.6330 8 0 0 1
57.12 4.23 1.6126 2 1 2 2
57.12 10.19 1.6126 -2 1 2 2
57.24 7.70 1.6094 -3 3 1 2
57.24 27.39 1.6094 3 3 1 2
57.24 13.69 1.6094 -3 0 2 1
57.24 3.85 1.6094 3 0 2 1
58.22 5.82 1.5847 -7 1 1 2
58.79 1.08 1.5706 6 2 1 2
59.46 14.47 1.5545 -3 1 2 2
60.50 10.36 1.5302 4 3 1 2
60.50 1.52 1.5302 -4 3 1 2
60.50 5.18 1.5302 -4 0 2 1
62.31 1.74 1.4902 1 2 2 2
62.66 2.44 1.4827 -4 1 2 2
62.66 2.44 1.4827 4 1 2 2
64.55 17.47 1.4436 5 3 1 2
64.55 8.73 1.4436 -5 0 2 1
64.68 1.30 1.4410 -7 2 1 2
65.03 2.25 1.4343 -8 1 1 2
65.03 1.28 1.4343 8 1 1 2
66.63 4.93 1.4036 5 1 2 2
66.63 3.17 1.4036 -5 1 2 2
68.55 2.68 1.3689 1 4 1 2
68.88 5.52 1.3631 4 4 0 2
69.33 2.30 1.3555 -6 3 1 2
69.33 2.30 1.3555 6 3 1 2
69.33 1.15 1.3555 -6 0 2 1
69.33 1.15 1.3555 6 0 2 1
69.83 5.30 1.3469 2 4 1 2
69.83 2.26 1.3469 -2 4 1 2
71.94 7.61 1.3125 3 4 1 2
72.69 1.99 1.3009 -5 2 2 2
74.30 2.69 1.2765 10 1 0 2
74.78 3.35 1.2695 -7 3 1 2
74.78 6.00 1.2695 7 3 1 2
74.78 3.00 1.2695 -7 0 2 1
74.78 1.68 1.2695 7 0 2 1
74.86 1.34 1.2684 -4 4 1 2
74.86 1.34 1.2684 4 4 1 2
78.19 1.59 1.2226 9 2 1 2
78.19 2.41 1.2226 -9 2 1 2
78.55 2.83 1.2178 -5 4 1 2
78.55 1.94 1.2178 5 4 1 2
80.91 1.60 1.1882 -8 3 1 2
80.91 7.92 1.1882 8 3 1 2
80.91 3.96 1.1882 -8 0 2 1
82.50 1.86 1.1692 7 2 2 2
85.85 1.14 1.1320 -10 2 1 2
87.73 1.00 1.1125 -9 3 1 2
87.73 18.58 1.1125 9 3 1 2
87.73 9.29 1.1125 -9 0 2 1
89.62 1.10 1.0939 -9 1 2 2
89.62 1.60 1.0939 9 1 2 2
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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.