Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #15a based on stacking sequence ABABABCBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003016
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.44801638
RIR: 0.578
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.25 4.4188 3 1 0 4
27.31 4.21 3.2660 6 0 0 2
29.78 8.94 3.0000 0 2 0 2
29.78 12.64 3.0000 0 1 1 4
30.14 8.57 2.9654 -1 1 1 4
31.18 1.07 2.8685 -2 1 1 4
31.18 9.03 2.8685 2 1 1 4
32.85 1.07 2.7262 3 1 1 4
32.85 3.95 2.7262 -3 1 1 4
40.84 29.53 2.2094 6 2 0 4
40.84 4.75 2.2094 6 1 1 4
40.84 6.88 2.2094 -6 1 1 4
40.84 1.49 2.2094 -2 2 1 4
40.84 7.38 2.2094 2 2 1 4
42.18 7.24 2.1423 3 2 1 4
42.18 58.49 2.1423 -3 2 1 4
44.00 7.59 2.0580 4 2 1 4
44.25 97.46 2.0467 9 1 0 4
44.25 2.22 2.0467 7 1 1 4
46.25 10.85 1.9629 5 2 1 4
46.25 9.25 1.9629 -5 2 1 4
47.95 3.01 1.8974 -8 1 1 4
48.89 6.29 1.8628 -6 2 1 4
51.89 1.33 1.7621 9 1 1 4
51.89 4.96 1.7621 7 2 1 4
52.86 1.16 1.7321 0 3 1 4
53.08 3.69 1.7253 -1 3 1 4
53.08 1.32 1.7253 1 3 1 4
53.08 1.85 1.7253 1 0 2 2
53.74 3.55 1.7056 -2 3 1 4
53.74 1.20 1.7056 2 3 1 4
53.74 1.78 1.7056 2 0 2 2
54.84 14.69 1.6742 3 3 1 4
54.84 3.58 1.6742 -3 3 1 4
54.84 1.79 1.6742 3 0 2 2
54.84 7.35 1.6742 -3 0 2 2
55.20 1.90 1.6641 -8 2 1 4
56.06 2.03 1.6406 10 1 1 4
56.06 1.47 1.6406 -10 1 1 4
56.06 2.68 1.6406 -2 1 2 4
56.34 4.46 1.6330 12 0 0 2
56.34 1.73 1.6330 4 3 1 4
56.34 17.03 1.6330 -4 3 1 4
56.34 8.51 1.6330 4 0 2 2
57.12 22.21 1.6126 3 1 2 4
57.12 2.85 1.6126 -3 1 2 4
58.24 11.98 1.5842 5 3 1 4
58.24 5.99 1.5842 -5 0 2 2
58.58 3.00 1.5757 -4 1 2 4
58.79 1.75 1.5706 -9 2 1 4
58.79 1.46 1.5706 9 2 1 4
60.44 1.09 1.5317 -11 1 1 4
60.44 3.83 1.5317 5 1 2 4
60.44 4.50 1.5317 -5 1 2 4
60.50 29.30 1.5302 -6 3 1 4
60.50 14.65 1.5302 6 0 2 2
61.85 1.29 1.5000 0 2 2 4
62.66 2.78 1.4827 6 1 2 4
62.66 1.00 1.4827 -2 2 2 4
63.12 3.29 1.4729 7 3 1 4
63.12 1.37 1.4729 -7 3 1 4
63.12 1.65 1.4729 -7 0 2 2
65.03 4.43 1.4343 12 1 1 4
65.03 1.31 1.4343 -12 1 1 4
65.22 2.28 1.4304 -7 1 2 4
66.07 4.69 1.4142 -8 3 1 4
66.07 3.49 1.4142 8 3 1 4
66.07 2.34 1.4142 8 0 2 2
66.07 1.75 1.4142 -8 0 2 2
68.88 5.38 1.3631 6 4 0 4
68.88 1.34 1.3631 2 4 1 4
68.88 1.25 1.3631 6 2 2 4
69.33 2.11 1.3555 9 3 1 4
69.33 1.05 1.3555 -9 0 2 2
69.83 11.47 1.3469 -3 4 1 4
69.83 1.58 1.3469 3 4 1 4
71.15 1.57 1.3252 12 2 1 4
71.15 1.57 1.3252 4 4 1 4
71.33 1.01 1.3222 9 1 2 4
72.83 2.40 1.2987 5 4 1 4
72.83 2.03 1.2987 -5 4 1 4
72.89 1.34 1.2978 10 3 1 4
72.89 4.35 1.2978 -10 3 1 4
72.89 2.18 1.2978 10 0 2 2
74.30 2.62 1.2765 15 1 0 4
74.86 1.55 1.2684 -6 4 1 4
75.77 2.11 1.2554 -13 2 1 4
76.75 4.10 1.2418 11 3 1 4
76.75 2.05 1.2418 -11 0 2 2
77.23 1.29 1.2352 7 4 1 4
80.91 20.55 1.1882 -12 3 1 4
80.91 10.27 1.1882 12 0 2 2
85.37 1.04 1.1371 -13 3 1 4
85.37 3.21 1.1371 13 3 1 4
85.37 1.61 1.1371 -13 0 2 2
85.85 3.33 1.1320 15 2 1 4
87.27 1.38 1.1172 13 1 2 4
88.51 1.75 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.