Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9a based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003006
CELL PARAMETERS: 13.0639 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 271.529
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.00444205
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 21.09 2.9239 -1 1 1 4
32.85 6.65 2.7262 2 1 1 4
40.37 10.49 2.2344 1 2 1 4
40.37 4.01 2.2344 -1 2 1 4
40.84 30.30 2.2094 4 2 0 4
40.84 5.30 2.2094 -4 1 1 4
40.84 4.31 2.2094 4 1 1 4
42.18 11.95 2.1423 2 2 1 4
42.18 35.62 2.1423 -2 2 1 4
44.25 100.00 2.0467 6 1 0 4
45.07 5.57 2.0114 -3 2 1 4
45.07 11.53 2.0114 3 2 1 4
46.07 5.70 1.9703 5 1 1 4
48.89 22.02 1.8628 4 2 1 4
48.89 7.75 1.8628 -4 2 1 4
51.89 6.23 1.7621 -6 1 1 4
51.89 3.82 1.7621 6 1 1 4
53.36 9.53 1.7170 1 3 1 4
53.36 11.76 1.7170 -1 3 1 4
53.36 4.76 1.7170 -1 0 2 2
53.36 5.88 1.7170 1 0 2 2
53.50 1.39 1.7126 5 2 1 4
53.50 7.80 1.7126 -5 2 1 4
54.84 25.67 1.6742 -2 3 1 4
54.84 12.83 1.6742 2 0 2 2
55.68 3.75 1.6508 -1 1 2 4
55.68 1.50 1.6508 1 1 2 4
56.34 4.58 1.6330 8 0 0 2
57.12 13.57 1.6126 2 1 2 4
57.12 4.63 1.6126 -2 1 2 4
57.24 33.37 1.6094 3 3 1 4
57.24 16.68 1.6094 -3 0 2 2
58.22 2.47 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 4.67 1.5545 -3 1 2 4
59.46 2.23 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 2.28 1.4902 1 2 2 4
62.66 9.66 1.4827 -4 1 2 4
62.66 3.33 1.4827 4 1 2 4
64.55 5.63 1.4436 5 3 1 4
64.55 2.71 1.4436 -5 3 1 4
64.55 2.82 1.4436 -5 0 2 2
64.55 1.35 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 3.75 1.4036 5 1 2 4
68.55 1.85 1.3689 1 4 1 4
68.88 5.52 1.3631 4 4 0 4
69.33 8.71 1.3555 -6 3 1 4
69.33 4.34 1.3555 6 3 1 4
69.33 2.17 1.3555 -6 0 2 2
69.33 4.35 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 3.30 1.3252 -8 2 1 4
71.94 2.46 1.3125 3 4 1 4
71.94 1.16 1.3125 -3 4 1 4
72.69 1.28 1.3009 -5 2 2 4
74.30 2.69 1.2765 10 1 0 4
74.78 8.33 1.2695 7 3 1 4
74.78 4.17 1.2695 -7 0 2 2
74.86 1.78 1.2684 -4 4 1 4
74.86 5.32 1.2684 4 4 1 4
77.23 1.65 1.2352 6 2 2 4
78.19 2.82 1.2226 9 2 1 4
78.55 2.20 1.2178 -5 4 1 4
80.91 10.51 1.1882 -8 3 1 4
80.91 1.03 1.1882 8 3 1 4
80.91 5.25 1.1882 8 0 2 2
82.82 2.01 1.1655 8 1 2 4
85.85 1.48 1.1320 10 2 1 4
87.73 5.41 1.1125 9 3 1 4
87.73 3.98 1.1125 -9 3 1 4
87.73 1.99 1.1125 9 0 2 2
87.73 2.71 1.1125 -9 0 2 2
88.51 1.19 1.1047 -8 2 2 4
89.62 1.93 1.0939 -9 1 2 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.