Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #13 based on stacking sequence ABABABACACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003013
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2_1cn
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.79195514
RIR: 0.590
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.22 4.4188 3 1 0 2
27.31 4.13 3.2660 6 0 0 1
29.78 8.77 3.0000 0 2 0 2
29.78 12.40 3.0000 0 1 1 4
30.14 28.67 2.9654 1 1 1 4
32.85 1.94 2.7262 3 1 1 4
40.84 28.96 2.2094 6 2 0 2
40.84 12.31 2.2094 6 1 1 4
40.84 14.53 2.2094 2 2 1 4
42.18 68.66 2.1423 3 2 1 4
44.00 28.91 2.0580 4 2 1 4
44.25 95.57 2.0467 9 1 0 2
44.25 4.43 2.0467 7 1 1 4
48.89 4.73 1.8628 6 2 1 4
51.89 1.46 1.7621 9 1 1 4
52.86 1.14 1.7321 0 3 1 4
53.08 7.34 1.7253 1 3 1 4
53.08 3.67 1.7253 1 0 2 2
54.84 7.21 1.6742 3 3 1 4
54.84 3.60 1.6742 3 0 2 2
55.20 3.77 1.6641 8 2 1 4
56.06 5.27 1.6406 2 1 2 4
56.34 4.38 1.6330 12 0 0 1
57.12 26.19 1.6126 3 1 2 4
58.24 33.61 1.5842 5 3 1 4
58.24 16.80 1.5842 5 0 2 2
58.58 11.37 1.5757 4 1 2 4
58.79 3.40 1.5706 9 2 1 4
60.44 2.94 1.5317 11 1 1 4
60.50 30.15 1.5302 6 3 1 4
60.50 15.08 1.5302 6 0 2 2
61.85 1.27 1.5000 0 2 2 4
62.06 3.00 1.4956 1 2 2 4
62.66 2.07 1.4827 6 1 2 4
63.12 17.75 1.4729 7 3 1 4
63.12 8.88 1.4729 7 0 2 2
65.03 6.04 1.4343 12 1 1 4
68.12 1.86 1.3765 8 1 2 4
68.88 5.27 1.3631 6 4 0 2
68.88 2.64 1.3631 2 4 1 4
68.88 2.34 1.3631 6 2 2 4
69.33 1.95 1.3555 9 3 1 4
69.83 13.65 1.3469 3 4 1 4
71.15 5.89 1.3252 4 4 1 4
71.33 1.85 1.3222 9 1 2 4
74.30 2.57 1.2765 15 1 0 2
74.86 1.14 1.2684 6 4 1 4
76.75 11.43 1.2418 11 3 1 4
76.75 5.71 1.2418 11 0 2 2
79.95 1.12 1.2000 8 4 1 4
80.67 4.14 1.1911 14 2 1 4
80.91 21.02 1.1882 12 3 1 4
80.91 10.51 1.1882 12 0 2 2
83.00 1.20 1.1635 9 4 1 4
85.37 15.89 1.1371 13 3 1 4
85.37 7.94 1.1371 13 0 2 2
85.85 3.50 1.1320 15 2 1 4
85.85 1.05 1.1320 1 5 1 4
85.85 1.05 1.1320 1 4 2 4
88.51 2.45 1.1047 12 2 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.