Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #50 based on stacking sequence ABABCACBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003071
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: 18.27130664
RIR: 0.606
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 2
27.31 4.02 3.2660 6 0 0 1
29.78 8.54 3.0000 0 2 0 2
29.78 4.02 3.0000 0 1 1 2
30.14 2.05 2.9654 -1 1 1 2
30.14 2.05 2.9654 1 1 1 2
31.18 6.21 2.8685 -2 1 1 2
31.18 11.59 2.8685 2 1 1 2
35.07 1.20 2.5584 -4 1 1 2
40.02 3.97 2.2528 -1 2 1 2
40.84 28.20 2.2094 6 2 0 2
40.84 2.47 2.2094 6 1 1 2
40.84 3.29 2.2094 -6 1 1 2
40.84 6.35 2.2094 -2 2 1 2
40.84 6.35 2.2094 2 2 1 2
42.18 5.44 2.1423 3 2 1 2
42.18 25.01 2.1423 -3 2 1 2
44.00 8.29 2.0580 4 2 1 2
44.00 8.29 2.0580 -4 2 1 2
44.25 93.07 2.0467 9 1 0 2
44.25 3.47 2.0467 7 1 1 2
44.25 3.47 2.0467 -7 1 1 2
46.25 4.07 1.9629 5 2 1 2
46.25 21.60 1.9629 -5 2 1 2
47.95 4.95 1.8974 -8 1 1 2
48.89 2.30 1.8628 6 2 1 2
48.89 2.30 1.8628 -6 2 1 2
51.89 7.32 1.7621 7 2 1 2
51.89 2.76 1.7621 -7 2 1 2
53.08 4.27 1.7253 -1 3 1 2
53.08 4.27 1.7253 1 3 1 2
53.08 2.13 1.7253 -1 0 2 1
53.08 2.13 1.7253 1 0 2 1
53.74 3.59 1.7056 -2 3 1 2
53.74 13.77 1.7056 2 3 1 2
53.74 6.88 1.7056 -2 0 2 1
53.74 1.79 1.7056 2 0 2 1
54.84 3.51 1.6742 3 3 1 2
54.84 3.51 1.6742 -3 3 1 2
54.84 1.75 1.6742 3 0 2 1
54.84 1.75 1.6742 -3 0 2 1
55.20 3.35 1.6641 -8 2 1 2
55.20 3.35 1.6641 8 2 1 2
55.41 1.41 1.6581 1 1 2 2
56.06 4.15 1.6406 10 1 1 2
56.06 2.36 1.6406 -2 1 2 2
56.06 2.36 1.6406 2 1 2 2
56.34 4.26 1.6330 12 0 0 1
56.34 11.08 1.6330 4 3 1 2
56.34 22.86 1.6330 -4 3 1 2
56.34 11.43 1.6330 4 0 2 1
56.34 5.54 1.6330 -4 0 2 1
57.12 9.51 1.6126 3 1 2 2
57.12 2.12 1.6126 -3 1 2 2
58.24 3.36 1.5842 5 3 1 2
58.24 3.36 1.5842 -5 3 1 2
58.24 1.68 1.5842 -5 0 2 1
58.24 1.68 1.5842 5 0 2 1
58.58 3.29 1.5757 4 1 2 2
58.58 3.29 1.5757 -4 1 2 2
60.44 1.36 1.5317 11 1 1 2
60.44 1.36 1.5317 -11 1 1 2
60.44 8.94 1.5317 5 1 2 2
60.44 1.69 1.5317 -5 1 2 2
60.50 11.21 1.5302 -6 3 1 2
60.50 5.60 1.5302 6 0 2 1
62.66 1.01 1.4827 6 1 2 2
62.66 1.01 1.4827 -6 1 2 2
62.66 1.31 1.4827 -2 2 2 2
63.12 3.28 1.4729 7 3 1 2
63.12 3.28 1.4729 -7 3 1 2
63.12 1.64 1.4729 7 0 2 1
63.12 1.64 1.4729 -7 0 2 1
65.03 1.98 1.4343 12 1 1 2
65.22 1.34 1.4304 7 1 2 2
65.22 3.34 1.4304 -7 1 2 2
66.07 9.66 1.4142 -8 3 1 2
66.07 4.83 1.4142 8 0 2 1
66.78 1.06 1.4009 11 2 1 2
68.12 1.67 1.3765 8 1 2 2
68.12 1.67 1.3765 -8 1 2 2
68.88 5.13 1.3631 6 4 0 2
68.88 1.24 1.3631 -2 4 1 2
68.88 1.24 1.3631 2 4 1 2
69.83 4.93 1.3469 -3 4 1 2
69.83 1.15 1.3469 3 4 1 2
71.15 1.73 1.3252 4 4 1 2
71.15 1.73 1.3252 -4 4 1 2
72.83 4.75 1.2987 -5 4 1 2
72.89 4.63 1.2978 10 3 1 2
72.89 3.71 1.2978 -10 3 1 2
72.89 1.86 1.2978 10 0 2 1
72.89 2.32 1.2978 -10 0 2 1
74.12 1.14 1.2792 8 2 2 2
74.30 2.50 1.2765 15 1 0 2
75.77 1.95 1.2554 -13 2 1 2
75.77 2.07 1.2554 13 2 1 2
76.75 1.17 1.2418 -11 3 1 2
76.75 1.17 1.2418 11 3 1 2
77.23 1.87 1.2352 7 4 1 2
79.95 1.01 1.2000 -8 4 1 2
79.95 1.01 1.2000 8 4 1 2
80.67 1.24 1.1911 -10 2 2 2
80.91 8.16 1.1882 -12 3 1 2
80.91 4.08 1.1882 12 0 2 1
85.37 3.26 1.1371 -13 3 1 2
85.37 3.26 1.1371 13 3 1 2
85.37 1.63 1.1371 -13 0 2 1
85.37 1.63 1.1371 13 0 2 1
85.85 1.25 1.1320 15 2 1 2
87.27 1.31 1.1172 13 1 2 2
87.27 1.34 1.1172 -13 1 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.