Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11b based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003010
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: 18.60823705
RIR: 0.617
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.17 4.4188 3 1 0 4
27.31 3.95 3.2660 6 0 0 2
29.78 8.38 3.0000 0 2 0 2
29.78 11.86 3.0000 0 1 1 4
30.14 8.04 2.9654 -1 1 1 4
30.14 1.66 2.9654 1 1 1 4
32.85 1.00 2.7262 3 1 1 4
32.85 3.70 2.7262 -3 1 1 4
35.07 1.64 2.5584 -4 1 1 4
40.02 3.76 2.2528 -1 2 1 4
40.84 27.69 2.2094 6 2 0 4
40.84 2.59 2.2094 6 1 1 4
40.84 1.39 2.2094 -6 1 1 4
40.84 5.57 2.2094 -2 2 1 4
40.84 6.92 2.2094 2 2 1 4
42.18 29.20 2.1423 3 2 1 4
44.00 28.45 2.0580 4 2 1 4
44.25 91.38 2.0467 9 1 0 4
44.25 8.31 2.0467 7 1 1 4
46.25 7.29 1.9629 5 2 1 4
47.95 6.59 1.8974 8 1 1 4
48.89 5.90 1.8628 -6 2 1 4
51.89 1.25 1.7621 9 1 1 4
51.89 13.75 1.7621 -7 2 1 4
52.86 1.09 1.7321 0 3 1 4
53.08 3.46 1.7253 -1 3 1 4
53.08 4.97 1.7253 1 3 1 4
53.08 2.48 1.7253 -1 0 2 2
53.08 1.73 1.7253 1 0 2 2
53.74 22.19 1.7056 2 3 1 4
53.74 11.09 1.7056 -2 0 2 2
54.84 13.78 1.6742 3 3 1 4
54.84 3.35 1.6742 -3 3 1 4
54.84 1.68 1.6742 3 0 2 2
54.84 6.89 1.6742 -3 0 2 2
55.20 7.12 1.6641 -8 2 1 4
55.41 1.39 1.6581 1 1 2 4
56.06 2.52 1.6406 -10 1 1 4
56.06 2.52 1.6406 -2 1 2 4
56.06 2.12 1.6406 2 1 2 4
56.34 4.18 1.6330 12 0 0 2
56.34 2.09 1.6330 -4 3 1 4
56.34 1.05 1.6330 4 0 2 2
57.12 11.05 1.6126 -3 1 2 4
58.24 11.23 1.5842 5 3 1 4
58.24 5.62 1.5842 -5 0 2 2
58.58 11.27 1.5757 -4 1 2 4
60.44 4.07 1.5317 -11 1 1 4
60.44 3.01 1.5317 -5 1 2 4
60.50 18.84 1.5302 6 3 1 4
60.50 2.68 1.5302 -6 3 1 4
60.50 1.34 1.5302 6 0 2 2
60.50 9.42 1.5302 -6 0 2 2
61.85 1.21 1.5000 0 2 2 4
62.66 2.61 1.4827 6 1 2 4
63.12 12.35 1.4729 7 3 1 4
63.12 1.29 1.4729 -7 3 1 4
63.12 6.17 1.4729 -7 0 2 2
65.03 1.99 1.4343 -12 1 1 4
65.22 6.44 1.4304 7 1 2 4
66.07 5.68 1.4142 8 3 1 4
66.07 2.84 1.4142 -8 0 2 2
66.78 2.13 1.4009 11 2 1 4
68.12 3.49 1.3765 8 1 2 4
68.88 5.04 1.3631 6 4 0 4
68.88 1.17 1.3631 -2 4 1 4
68.88 1.26 1.3631 2 4 1 4
69.33 1.98 1.3555 9 3 1 4
69.83 5.67 1.3469 3 4 1 4
71.15 1.47 1.3252 12 2 1 4
71.15 5.90 1.3252 4 4 1 4
71.33 1.73 1.3222 -7 2 2 4
72.83 1.59 1.2987 5 4 1 4
74.12 1.58 1.2792 -8 2 2 4
74.30 2.46 1.2765 15 1 0 4
74.86 1.45 1.2684 -6 4 1 4
76.75 3.85 1.2418 11 3 1 4
76.75 1.92 1.2418 -11 0 2 2
77.23 3.72 1.2352 -7 4 1 4
78.68 1.23 1.2161 -11 1 2 4
79.95 2.07 1.2000 -8 4 1 4
80.67 1.08 1.1911 -14 2 1 4
80.91 12.15 1.1882 12 3 1 4
80.91 6.07 1.1882 -12 0 2 2
84.42 1.41 1.1474 11 2 2 4
85.37 12.06 1.1371 13 3 1 4
85.37 6.03 1.1371 -13 0 2 2
85.85 2.22 1.1320 -15 2 1 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.