Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #18 based on stacking sequence ABABACBABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003021
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: 19.34129807
RIR: 0.641
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.12 4.4188 3 1 0 2
27.31 3.80 3.2660 6 0 0 1
29.78 8.07 3.0000 0 2 0 2
29.78 11.41 3.0000 0 1 1 4
30.14 1.16 2.9654 1 1 1 4
31.18 12.62 2.8685 2 1 1 4
32.85 1.78 2.7262 3 1 1 4
40.02 3.04 2.2528 1 2 1 4
40.84 26.64 2.2094 6 2 0 2
40.84 1.34 2.2094 6 1 1 4
40.84 20.65 2.2094 2 2 1 4
42.18 16.87 2.1423 3 2 1 4
44.00 24.69 2.0580 4 2 1 4
44.25 87.92 2.0467 9 1 0 2
44.25 12.08 2.0467 7 1 1 4
46.25 18.18 1.9629 5 2 1 4
47.95 4.07 1.8974 8 1 1 4
48.89 4.35 1.8628 6 2 1 4
51.89 1.35 1.7621 9 1 1 4
51.89 7.14 1.7621 7 2 1 4
52.86 1.05 1.7321 0 3 1 4
53.08 14.45 1.7253 1 3 1 4
53.08 7.22 1.7253 1 0 2 2
53.74 12.30 1.7056 2 3 1 4
53.74 6.15 1.7056 2 0 2 2
54.84 6.63 1.6742 3 3 1 4
54.84 3.31 1.6742 3 0 2 2
55.20 11.78 1.6641 8 2 1 4
55.41 1.08 1.6581 1 1 2 4
56.06 3.20 1.6406 10 1 1 4
56.06 7.69 1.6406 2 1 2 4
56.34 4.03 1.6330 12 0 0 1
56.34 24.05 1.6330 4 3 1 4
56.34 12.02 1.6330 4 0 2 2
57.12 6.34 1.6126 3 1 2 4
58.24 4.98 1.5842 5 3 1 4
58.24 2.49 1.5842 5 0 2 2
58.58 9.82 1.5757 4 1 2 4
60.44 4.45 1.5317 11 1 1 4
60.44 7.53 1.5317 5 1 2 4
60.50 18.36 1.5302 6 3 1 4
60.50 9.18 1.5302 6 0 2 2
61.85 1.17 1.5000 0 2 2 4
62.66 1.91 1.4827 6 1 2 4
62.66 1.41 1.4827 2 2 2 4
63.12 8.29 1.4729 7 3 1 4
63.12 4.15 1.4729 7 0 2 2
65.22 3.32 1.4304 7 1 2 4
66.07 7.46 1.4142 8 3 1 4
66.07 3.73 1.4142 8 0 2 2
66.78 1.08 1.4009 11 2 1 4
68.12 5.89 1.3765 8 1 2 4
68.88 4.85 1.3631 6 4 0 2
68.88 4.08 1.3631 2 4 1 4
69.33 1.80 1.3555 9 3 1 4
69.83 1.06 1.3469 13 1 1 4
69.83 3.21 1.3469 3 4 1 4
71.15 5.18 1.3252 4 4 1 4
71.33 2.58 1.3222 7 2 2 4
72.83 4.01 1.2987 5 4 1 4
72.89 5.91 1.2978 10 3 1 4
72.89 2.96 1.2978 10 0 2 2
74.30 2.36 1.2765 15 1 0 2
74.86 1.05 1.2684 6 4 1 4
75.77 2.85 1.2554 13 2 1 4
76.75 1.77 1.2418 11 3 1 4
77.23 1.89 1.2352 7 4 1 4
79.95 3.56 1.2000 8 4 1 4
80.91 9.91 1.1882 12 3 1 4
80.91 4.95 1.1882 12 0 2 2
84.42 1.57 1.1474 11 2 2 4
85.37 8.67 1.1371 13 3 1 4
85.37 4.33 1.1371 13 0 2 2
85.85 2.33 1.1320 15 2 1 4
87.27 1.87 1.1172 13 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.