Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9b based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003007
CELL PARAMETERS: 13.0639 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 271.529
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.00443028
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 4
27.31 4.32 3.2660 4 0 0 2
29.78 9.18 3.0000 0 2 0 2
29.78 3.24 3.0000 0 1 1 4
30.57 1.89 2.9239 1 1 1 4
30.57 14.04 2.9239 -1 1 1 4
32.85 9.12 2.7262 2 1 1 4
32.85 2.47 2.7262 -2 1 1 4
40.37 6.77 2.2344 -1 2 1 4
40.84 30.30 2.2094 4 2 0 4
40.84 4.31 2.2094 -4 1 1 4
40.84 5.30 2.2094 4 1 1 4
42.18 35.62 2.1423 2 2 1 4
42.18 11.95 2.1423 -2 2 1 4
44.25 100.00 2.0467 6 1 0 4
45.07 32.65 2.0114 -3 2 1 4
45.07 4.27 2.0114 3 2 1 4
46.07 4.43 1.9703 5 1 1 4
46.07 5.00 1.9703 -5 1 1 4
48.89 14.52 1.8628 4 2 1 4
51.89 3.08 1.7621 -6 1 1 4
53.36 12.57 1.7170 1 3 1 4
53.36 6.28 1.7170 -1 0 2 2
53.50 4.63 1.7126 5 2 1 4
53.50 6.93 1.7126 -5 2 1 4
54.84 8.26 1.6742 2 3 1 4
54.84 33.92 1.6742 -2 3 1 4
54.84 16.96 1.6742 2 0 2 2
54.84 4.13 1.6742 -2 0 2 2
55.68 2.49 1.6508 1 1 2 4
56.34 4.58 1.6330 8 0 0 2
57.12 4.63 1.6126 2 1 2 4
57.12 13.57 1.6126 -2 1 2 4
57.24 4.36 1.6094 -3 3 1 4
57.24 17.84 1.6094 3 3 1 4
57.24 8.92 1.6094 -3 0 2 2
57.24 2.18 1.6094 3 0 2 2
58.22 1.33 1.5847 -7 1 1 4
58.22 4.46 1.5847 7 1 1 4
58.79 1.40 1.5706 6 2 1 4
58.79 1.26 1.5706 -6 2 1 4
59.46 1.74 1.5545 -3 1 2 4
59.46 13.18 1.5545 3 1 2 4
60.50 13.57 1.5302 4 3 1 4
60.50 6.79 1.5302 -4 0 2 2
62.31 1.49 1.4902 1 2 2 4
62.66 6.43 1.4827 -4 1 2 4
63.65 1.13 1.4619 -2 2 2 4
64.55 2.09 1.4436 5 3 1 4
64.55 15.92 1.4436 -5 3 1 4
64.55 1.05 1.4436 -5 0 2 2
64.55 7.96 1.4436 5 0 2 2
65.03 2.97 1.4343 -8 1 1 4
65.03 1.53 1.4343 8 1 1 4
66.63 3.38 1.4036 5 1 2 4
66.63 2.13 1.4036 -5 1 2 4
68.55 1.31 1.3689 -1 4 1 4
68.88 5.52 1.3631 4 4 0 4
69.33 4.86 1.3555 -6 3 1 4
69.33 2.43 1.3555 6 0 2 2
69.83 7.06 1.3469 2 4 1 4
69.83 2.49 1.3469 -2 4 1 4
71.15 3.63 1.3252 -8 2 1 4
71.94 6.91 1.3125 -3 4 1 4
72.69 1.01 1.3009 -5 2 2 4
72.69 1.06 1.3009 5 2 2 4
74.30 2.69 1.2765 10 1 0 4
74.78 6.24 1.2695 7 3 1 4
74.78 3.12 1.2695 -7 0 2 2
74.86 3.58 1.2684 4 4 1 4
78.19 3.46 1.2226 9 2 1 4
78.55 2.01 1.2178 -5 4 1 4
78.55 1.18 1.2178 5 4 1 4
80.91 1.03 1.1882 -8 3 1 4
80.91 10.51 1.1882 8 3 1 4
80.91 5.25 1.1882 -8 0 2 2
82.50 1.41 1.1692 -7 2 2 4
82.82 2.27 1.1655 8 1 2 4
85.85 1.48 1.1320 -10 2 1 4
87.73 17.85 1.1125 -9 3 1 4
87.73 1.70 1.1125 9 3 1 4
87.73 8.92 1.1125 9 0 2 2
88.51 1.19 1.1047 8 2 2 4
89.62 2.33 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.