Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #8b based on stacking sequence ABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003005
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: 17.00443022
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 5.65 2.9239 -1 1 1 4
32.85 2.47 2.7262 2 1 1 4
32.85 9.12 2.7262 -2 1 1 4
40.37 2.81 2.2344 1 2 1 4
40.37 14.96 2.2344 -1 2 1 4
40.84 30.30 2.2094 4 2 0 4
42.18 7.99 2.1423 2 2 1 4
44.25 100.00 2.0467 6 1 0 4
45.07 1.49 2.0114 -3 2 1 4
45.07 43.04 2.0114 3 2 1 4
46.07 21.25 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 35.55 1.7170 1 3 1 4
53.36 3.15 1.7170 -1 3 1 4
53.36 17.78 1.7170 -1 0 2 2
53.36 1.58 1.7170 1 0 2 2
53.50 29.11 1.7126 -5 2 1 4
54.84 33.92 1.6742 2 3 1 4
54.84 8.26 1.6742 -2 3 1 4
54.84 4.13 1.6742 2 0 2 2
54.84 16.96 1.6742 -2 0 2 2
55.68 1.00 1.6508 -1 1 2 4
55.68 5.58 1.6508 1 1 2 4
56.34 4.58 1.6330 8 0 0 2
57.12 3.02 1.6126 -2 1 2 4
57.24 8.94 1.6094 3 3 1 4
57.24 4.47 1.6094 -3 0 2 2
58.22 9.23 1.5847 -7 1 1 4
59.46 17.43 1.5545 -3 1 2 4
60.50 5.15 1.5302 4 3 1 4
60.50 2.58 1.5302 -4 0 2 2
62.66 6.43 1.4827 4 1 2 4
63.65 1.13 1.4619 2 2 2 4
64.55 21.02 1.4436 5 3 1 4
64.55 10.51 1.4436 -5 0 2 2
64.68 2.70 1.4410 7 2 1 4
66.63 13.99 1.4036 5 1 2 4
68.55 3.06 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 1.55 1.3469 2 4 1 4
71.15 3.63 1.3252 8 2 1 4
71.94 9.19 1.3125 3 4 1 4
72.69 4.76 1.3009 -5 2 2 4
74.30 2.69 1.2765 10 1 0 4
74.78 2.23 1.2695 7 3 1 4
74.78 1.12 1.2695 -7 0 2 2
74.86 3.58 1.2684 -4 4 1 4
76.73 1.47 1.2420 -7 1 2 4
78.55 8.20 1.2178 -5 4 1 4
80.91 3.32 1.1882 8 3 1 4
80.91 1.66 1.1882 -8 0 2 2
82.50 2.99 1.1692 7 2 2 4
82.82 2.27 1.1655 -8 1 2 4
87.73 1.07 1.1125 -9 3 1 4
87.73 20.21 1.1125 9 3 1 4
87.73 10.10 1.1125 -9 0 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.