Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #40a based on stacking sequence ABABACACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003054
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: Pc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 18.47639517
RIR: 0.613
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.18 4.4188 3 1 0 2
27.31 3.98 3.2660 6 0 0 1
29.78 8.44 3.0000 0 2 0 2
29.78 3.98 3.0000 0 1 1 2
30.14 9.70 2.9654 1 1 1 2
31.18 7.79 2.8685 -2 1 1 2
31.18 4.22 2.8685 2 1 1 2
40.02 1.05 2.2528 -1 2 1 2
40.02 1.86 2.2528 1 2 1 2
40.84 27.89 2.2094 6 2 0 2
40.84 1.98 2.2094 6 1 1 2
40.84 1.98 2.2094 -6 1 1 2
40.84 11.85 2.2094 -2 2 1 2
40.84 10.81 2.2094 2 2 1 2
42.18 11.02 2.1423 3 2 1 2
42.18 11.02 2.1423 -3 2 1 2
44.00 1.87 2.0580 4 2 1 2
44.00 12.92 2.0580 -4 2 1 2
44.25 92.03 2.0467 9 1 0 2
44.25 1.64 2.0467 7 1 1 2
44.25 6.32 2.0467 -7 1 1 2
46.25 20.63 1.9629 5 2 1 2
46.25 3.96 1.9629 -5 2 1 2
47.95 6.39 1.8974 8 1 1 2
48.89 2.28 1.8628 6 2 1 2
48.89 2.28 1.8628 -6 2 1 2
51.89 10.61 1.7621 -7 2 1 2
53.08 7.56 1.7253 -1 3 1 2
53.08 6.46 1.7253 1 3 1 2
53.08 3.23 1.7253 -1 0 2 1
53.08 3.78 1.7253 1 0 2 1
53.74 5.23 1.7056 -2 3 1 2
53.74 8.85 1.7056 2 3 1 2
53.74 4.43 1.7056 -2 0 2 1
53.74 2.61 1.7056 2 0 2 1
54.84 3.47 1.6742 3 3 1 2
54.84 3.47 1.6742 -3 3 1 2
54.84 1.73 1.6742 3 0 2 1
54.84 1.73 1.6742 -3 0 2 1
55.20 2.15 1.6641 -8 2 1 2
55.20 6.17 1.6641 8 2 1 2
56.06 4.39 1.6406 -10 1 1 2
56.06 4.03 1.6406 -2 1 2 2
56.06 4.33 1.6406 2 1 2 2
56.34 4.21 1.6330 12 0 0 1
56.34 15.14 1.6330 4 3 1 2
56.34 7.47 1.6330 -4 3 1 2
56.34 3.73 1.6330 4 0 2 1
56.34 7.57 1.6330 -4 0 2 1
57.12 4.20 1.6126 3 1 2 2
57.12 4.20 1.6126 -3 1 2 2
58.24 2.61 1.5842 5 3 1 2
58.24 14.58 1.5842 -5 3 1 2
58.24 1.30 1.5842 -5 0 2 1
58.24 7.29 1.5842 5 0 2 1
58.58 5.14 1.5757 4 1 2 2
60.44 2.33 1.5317 11 1 1 2
60.44 1.65 1.5317 5 1 2 2
60.44 8.54 1.5317 -5 1 2 2
60.50 4.84 1.5302 6 3 1 2
60.50 4.84 1.5302 -6 3 1 2
60.50 2.42 1.5302 6 0 2 1
60.50 2.42 1.5302 -6 0 2 1
62.06 1.02 1.4956 -1 2 2 2
63.12 1.43 1.4729 7 3 1 2
63.12 4.34 1.4729 -7 3 1 2
63.12 2.17 1.4729 7 0 2 1
65.22 4.89 1.4304 7 1 2 2
66.07 10.16 1.4142 8 3 1 2
66.07 5.08 1.4142 -8 0 2 1
68.12 1.12 1.3765 8 1 2 2
68.12 3.08 1.3765 -8 1 2 2
68.88 5.08 1.3631 6 4 0 2
68.88 2.20 1.3631 -2 4 1 2
68.88 2.13 1.3631 2 4 1 2
69.83 2.19 1.3469 -3 4 1 2
69.83 2.19 1.3469 3 4 1 2
71.15 2.71 1.3252 -4 4 1 2
71.33 1.35 1.3222 7 2 2 2
72.83 4.53 1.2987 5 4 1 2
72.89 2.86 1.2978 10 3 1 2
72.89 3.57 1.2978 -10 3 1 2
72.89 1.78 1.2978 10 0 2 1
72.89 1.43 1.2978 -10 0 2 1
74.12 1.49 1.2792 -8 2 2 2
74.30 2.47 1.2765 15 1 0 2
75.77 1.55 1.2554 -13 2 1 2
75.77 1.46 1.2554 13 2 1 2
76.75 5.01 1.2418 -11 3 1 2
76.75 2.51 1.2418 11 0 2 1
77.23 2.77 1.2352 -7 4 1 2
79.95 1.86 1.2000 8 4 1 2
80.67 1.31 1.1911 10 2 2 2
80.91 3.37 1.1882 12 3 1 2
80.91 3.37 1.1882 -12 3 1 2
80.91 1.69 1.1882 -12 0 2 1
80.91 1.69 1.1882 12 0 2 1
85.37 4.54 1.1371 -13 3 1 2
85.37 1.17 1.1371 13 3 1 2
85.37 2.27 1.1371 13 0 2 1
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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.