Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11a based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003009
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 18.32813635
RIR: 0.608
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.19 4.4188 3 1 0 4
27.31 4.01 3.2660 6 0 0 2
29.78 8.51 3.0000 0 2 0 2
29.78 12.04 3.0000 0 1 1 4
30.14 5.76 2.9654 -1 1 1 4
30.14 6.49 2.9654 1 1 1 4
32.85 2.74 2.7262 -3 1 1 4
35.07 1.66 2.5584 -4 1 1 4
40.02 3.81 2.2528 -1 2 1 4
40.84 28.11 2.2094 6 2 0 4
40.84 1.41 2.2094 6 1 1 4
40.84 2.63 2.2094 -6 1 1 4
40.84 19.66 2.2094 -2 2 1 4
42.18 29.65 2.1423 -3 2 1 4
44.00 4.18 2.0580 4 2 1 4
44.00 13.19 2.0580 -4 2 1 4
44.25 92.78 2.0467 9 1 0 4
44.25 5.38 2.0467 7 1 1 4
44.25 1.84 2.0467 -7 1 1 4
46.25 7.40 1.9629 5 2 1 4
47.95 6.69 1.8974 8 1 1 4
48.89 3.20 1.8628 6 2 1 4
48.89 9.08 1.8628 -6 2 1 4
51.89 1.57 1.7621 -9 1 1 4
51.89 2.57 1.7621 9 1 1 4
51.89 13.96 1.7621 -7 2 1 4
52.86 1.11 1.7321 0 3 1 4
53.08 11.98 1.7253 1 3 1 4
53.08 5.99 1.7253 -1 0 2 2
53.74 22.52 1.7056 2 3 1 4
53.74 11.26 1.7056 -2 0 2 2
54.84 10.58 1.6742 3 3 1 4
54.84 5.29 1.6742 -3 0 2 2
55.20 6.12 1.6641 -8 2 1 4
55.20 1.19 1.6641 8 2 1 4
55.41 1.41 1.6581 1 1 2 4
56.06 2.55 1.6406 -10 1 1 4
56.06 7.25 1.6406 2 1 2 4
56.34 4.25 1.6330 12 0 0 2
56.34 2.12 1.6330 -4 3 1 4
56.34 1.06 1.6330 4 0 2 2
57.12 11.22 1.6126 3 1 2 4
58.24 4.91 1.5842 5 3 1 4
58.24 13.20 1.5842 -5 3 1 4
58.24 2.45 1.5842 -5 0 2 2
58.24 6.60 1.5842 5 0 2 2
58.58 5.20 1.5757 4 1 2 4
58.58 1.69 1.5757 -4 1 2 4
60.44 1.43 1.5317 11 1 1 4
60.44 1.28 1.5317 -11 1 1 4
60.44 3.05 1.5317 -5 1 2 4
60.50 2.72 1.5302 6 3 1 4
60.50 19.13 1.5302 -6 3 1 4
60.50 9.56 1.5302 6 0 2 2
60.50 1.36 1.5302 -6 0 2 2
61.85 1.23 1.5000 0 2 2 4
62.66 3.98 1.4827 6 1 2 4
62.66 1.37 1.4827 -6 1 2 4
63.12 7.31 1.4729 -7 3 1 4
63.12 3.66 1.4729 7 0 2 2
65.03 2.02 1.4343 12 1 1 4
65.22 6.54 1.4304 7 1 2 4
66.07 5.77 1.4142 8 3 1 4
66.07 2.88 1.4142 -8 0 2 2
66.78 2.17 1.4009 11 2 1 4
68.12 3.12 1.3765 8 1 2 4
68.88 5.12 1.3631 6 4 0 4
68.88 3.75 1.3631 -2 4 1 4
69.33 1.79 1.3555 -9 3 1 4
69.33 3.59 1.3555 9 3 1 4
69.33 1.80 1.3555 -9 0 2 2
69.83 5.75 1.3469 -3 4 1 4
71.15 1.36 1.3252 12 2 1 4
71.15 2.70 1.3252 -4 4 1 4
71.33 1.18 1.3222 -7 2 2 4
72.83 1.61 1.2987 5 4 1 4
74.12 1.60 1.2792 -8 2 2 4
74.30 2.49 1.2765 15 1 0 4
74.86 2.19 1.2684 -6 4 1 4
76.75 4.59 1.2418 -11 3 1 4
76.75 1.64 1.2418 11 3 1 4
76.75 2.29 1.2418 11 0 2 2
77.23 3.77 1.2352 -7 4 1 4
78.68 1.25 1.2161 -11 1 2 4
79.95 1.93 1.2000 -8 4 1 4
80.67 1.24 1.1911 14 2 1 4
80.91 12.34 1.1882 -12 3 1 4
80.91 6.17 1.1882 12 0 2 2
85.37 6.72 1.1371 -13 3 1 4
85.37 3.36 1.1371 13 0 2 2
85.85 2.26 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.