Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #42a based on stacking sequence ABABACBABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003057
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: 18.86313407
RIR: 0.625
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.15 4.4188 3 1 0 2
27.31 3.90 3.2660 6 0 0 1
29.78 8.27 3.0000 0 2 0 2
29.78 3.90 3.0000 0 1 1 2
30.14 4.20 2.9654 -1 1 1 2
30.14 6.31 2.9654 1 1 1 2
31.18 8.62 2.8685 -2 1 1 2
31.18 2.16 2.8685 2 1 1 2
32.85 2.66 2.7262 3 1 1 2
40.02 2.08 2.2528 1 2 1 2
40.84 27.32 2.2094 6 2 0 2
40.84 1.31 2.2094 6 1 1 2
40.84 1.71 2.2094 -6 1 1 2
40.84 19.10 2.2094 -2 2 1 2
40.84 4.46 2.2094 2 2 1 2
42.18 4.07 2.1423 3 2 1 2
42.18 13.56 2.1423 -3 2 1 2
44.00 4.06 2.0580 4 2 1 2
44.00 17.44 2.0580 -4 2 1 2
44.25 90.15 2.0467 9 1 0 2
44.25 5.23 2.0467 7 1 1 2
44.25 4.62 2.0467 -7 1 1 2
46.25 3.11 1.9629 5 2 1 2
46.25 12.43 1.9629 -5 2 1 2
47.95 2.79 1.8974 -8 1 1 2
48.89 8.82 1.8628 6 2 1 2
48.89 3.11 1.8628 -6 2 1 2
51.89 2.50 1.7621 -9 1 1 2
51.89 1.53 1.7621 9 1 1 2
51.89 4.88 1.7621 7 2 1 2
51.89 1.22 1.7621 -7 2 1 2
53.08 3.32 1.7253 -1 3 1 2
53.08 11.64 1.7253 1 3 1 2
53.08 5.82 1.7253 -1 0 2 1
53.08 1.66 1.7253 1 0 2 1
53.74 8.41 1.7056 -2 3 1 2
53.74 2.10 1.7056 2 3 1 2
53.74 1.05 1.7056 -2 0 2 1
53.74 4.20 1.7056 2 0 2 1
54.84 10.28 1.6742 -3 3 1 2
54.84 5.14 1.6742 3 0 2 1
55.20 5.95 1.6641 -8 2 1 2
55.20 3.95 1.6641 8 2 1 2
56.06 2.18 1.6406 10 1 1 2
56.06 1.67 1.6406 -2 1 2 2
56.06 7.04 1.6406 2 1 2 2
56.34 4.13 1.6330 12 0 0 1
56.34 16.44 1.6330 4 3 1 2
56.34 4.11 1.6330 -4 3 1 2
56.34 2.05 1.6330 4 0 2 1
56.34 8.22 1.6330 -4 0 2 1
57.12 5.15 1.6126 3 1 2 2
57.12 1.57 1.6126 -3 1 2 2
58.24 4.07 1.5842 5 3 1 2
58.24 12.83 1.5842 -5 3 1 2
58.24 2.03 1.5842 -5 0 2 1
58.24 6.41 1.5842 5 0 2 1
58.58 6.90 1.5757 4 1 2 2
58.58 1.64 1.5757 -4 1 2 2
60.44 2.35 1.5317 11 1 1 2
60.44 1.24 1.5317 -11 1 1 2
60.44 5.15 1.5317 5 1 2 2
60.44 1.29 1.5317 -5 1 2 2
60.50 1.68 1.5302 6 3 1 2
60.50 7.00 1.5302 -6 3 1 2
60.50 3.50 1.5302 6 0 2 1
62.66 1.33 1.4827 6 1 2 2
62.66 3.87 1.4827 -6 1 2 2
63.12 8.18 1.4729 -7 3 1 2
63.12 4.09 1.4729 7 0 2 1
65.03 1.04 1.4343 12 1 1 2
65.22 2.27 1.4304 -7 1 2 2
66.07 5.10 1.4142 -8 3 1 2
66.07 1.28 1.4142 8 3 1 2
66.07 2.55 1.4142 8 0 2 1
68.12 3.03 1.3765 8 1 2 2
68.12 1.94 1.3765 -8 1 2 2
68.88 4.97 1.3631 6 4 0 2
68.88 3.64 1.3631 -2 4 1 2
69.33 3.49 1.3555 -9 3 1 2
69.33 1.74 1.3555 9 3 1 2
69.33 1.74 1.3555 9 0 2 1
69.83 2.66 1.3469 -3 4 1 2
71.15 1.32 1.3252 -12 2 1 2
71.15 3.60 1.3252 -4 4 1 2
71.33 1.15 1.3222 -7 2 2 2
72.83 2.74 1.2987 -5 4 1 2
72.89 4.04 1.2978 10 3 1 2
72.89 1.01 1.2978 -10 3 1 2
72.89 2.02 1.2978 -10 0 2 1
74.30 2.42 1.2765 15 1 0 2
74.86 2.13 1.2684 6 4 1 2
75.77 1.95 1.2554 13 2 1 2
76.75 4.46 1.2418 -11 3 1 2
76.75 1.38 1.2418 11 3 1 2
76.75 2.23 1.2418 11 0 2 1
77.23 1.29 1.2352 7 4 1 2
79.95 1.87 1.2000 -8 4 1 2
79.95 1.15 1.2000 8 4 1 2
80.67 1.02 1.1911 14 2 1 2
80.91 1.00 1.1882 12 3 1 2
80.91 4.80 1.1882 -12 3 1 2
80.91 2.40 1.1882 12 0 2 1
85.37 7.82 1.1371 -13 3 1 2
85.37 3.91 1.1371 13 0 2 1
87.27 1.28 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.