Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #16 based on stacking sequence ABABACABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003018
CELL PARAMETERS: 19.8997 6.0000 3.4641 90.000 100.025 90.000
SPACE GROUP: Cc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.00443801
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 3 1 0 2
27.31 4.32 3.2660 6 0 0 1
29.78 9.18 3.0000 0 2 0 2
29.78 17.30 3.0000 -1 1 1 2
31.18 9.57 2.8685 -3 1 1 2
31.18 9.57 2.8685 1 1 1 2
40.02 2.30 2.2528 -2 2 1 2
40.02 2.30 2.2528 0 2 1 2
40.84 30.30 2.2094 6 2 0 2
40.84 7.57 2.2094 -7 1 1 2
40.84 5.82 2.2094 5 1 1 2
42.18 60.15 2.1423 -4 2 1 2
42.18 18.08 2.1423 2 2 1 2
44.25 100.00 2.0467 9 1 0 2
46.25 13.79 1.9629 -6 2 1 2
46.25 13.79 1.9629 4 2 1 2
47.95 3.09 1.8974 -9 1 1 2
47.95 3.09 1.8974 7 1 1 2
51.89 5.41 1.7621 -8 2 1 2
51.89 5.41 1.7621 6 2 1 2
52.86 1.59 1.7321 -1 3 1 2
53.74 9.32 1.7056 -3 3 1 2
53.74 9.32 1.7056 1 3 1 2
53.74 4.66 1.7056 -4 0 2 1
53.74 4.66 1.7056 0 0 2 1
56.06 2.42 1.6406 -11 1 1 2
56.06 2.42 1.6406 9 1 1 2
56.34 4.58 1.6330 12 0 0 1
56.34 18.23 1.6330 -5 3 1 2
56.34 18.23 1.6330 3 3 1 2
56.34 9.12 1.6330 -6 0 2 1
56.34 9.12 1.6330 2 0 2 1
57.12 6.96 1.6126 -5 1 2 2
57.12 22.85 1.6126 1 1 2 2
58.79 1.97 1.5706 -10 2 1 2
58.79 1.72 1.5706 8 2 1 2
60.44 5.71 1.5317 -7 1 2 2
60.44 5.71 1.5317 3 1 2 2
60.50 31.04 1.5302 -7 3 1 2
60.50 7.47 1.5302 5 3 1 2
60.50 3.73 1.5302 -8 0 2 1
60.50 15.52 1.5302 4 0 2 1
61.85 1.77 1.5000 -2 2 2 2
62.66 1.07 1.4827 -4 2 2 2
62.66 1.07 1.4827 0 2 2 2
65.03 2.07 1.4343 -13 1 1 2
65.03 4.63 1.4343 11 1 1 2
65.22 2.51 1.4304 -9 1 2 2
65.22 2.51 1.4304 5 1 2 2
66.07 5.66 1.4142 -9 3 1 2
66.07 5.66 1.4142 7 3 1 2
66.07 2.83 1.4142 -10 0 2 1
66.07 2.83 1.4142 6 0 2 1
68.88 5.52 1.3631 6 4 0 2
68.88 1.15 1.3631 -8 2 2 2
68.88 1.39 1.3631 4 2 2 2
69.83 11.81 1.3469 -4 4 1 2
69.83 3.69 1.3469 2 4 1 2
71.33 1.12 1.3222 7 1 2 2
72.83 3.04 1.2987 -6 4 1 2
72.83 3.04 1.2987 4 4 1 2
72.89 4.49 1.2978 -11 3 1 2
72.89 4.49 1.2978 9 3 1 2
72.89 2.24 1.2978 -12 0 2 1
72.89 2.24 1.2978 8 0 2 1
74.30 2.69 1.2765 15 1 0 2
75.77 2.16 1.2554 -14 2 1 2
75.77 2.16 1.2554 12 2 1 2
77.23 1.44 1.2352 -8 4 1 2
77.23 1.44 1.2352 6 4 1 2
80.91 21.30 1.1882 -13 3 1 2
80.91 4.45 1.1882 11 3 1 2
80.91 2.23 1.1882 -14 0 2 1
80.91 10.65 1.1882 10 0 2 1
85.85 3.58 1.1320 14 2 1 2
87.27 1.42 1.1172 -15 1 2 2
87.27 1.42 1.1172 11 1 2 2
88.51 1.84 1.1047 -14 2 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.