Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #35a based on stacking sequence ABABABCBACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003046
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: 17.70172385
RIR: 0.587
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.23 4.4188 3 1 0 2
27.31 4.15 3.2660 6 0 0 1
29.78 8.81 3.0000 0 2 0 2
29.78 4.15 3.0000 0 1 1 2
30.14 22.42 2.9654 -1 1 1 2
30.14 2.12 2.9654 1 1 1 2
31.18 5.36 2.8685 2 1 1 2
40.02 1.32 2.2528 1 2 1 2
40.84 29.11 2.2094 6 2 0 2
40.84 4.37 2.2094 6 1 1 2
40.84 5.21 2.2094 -6 1 1 2
40.84 6.55 2.2094 -2 2 1 2
40.84 13.12 2.2094 2 2 1 2
42.18 14.04 2.1423 3 2 1 2
42.18 34.25 2.1423 -3 2 1 2
44.00 8.56 2.0580 4 2 1 2
44.00 7.92 2.0580 -4 2 1 2
44.25 96.06 2.0467 9 1 0 2
44.25 3.58 2.0467 7 1 1 2
46.25 13.18 1.9629 5 2 1 2
46.25 2.55 1.9629 -5 2 1 2
47.95 2.14 1.8974 8 1 1 2
47.95 2.31 1.8974 -8 1 1 2
48.89 2.38 1.8628 6 2 1 2
48.89 2.38 1.8628 -6 2 1 2
51.89 4.82 1.7621 7 2 1 2
51.89 2.67 1.7621 -7 2 1 2
53.08 6.02 1.7253 -1 3 1 2
53.08 4.41 1.7253 1 3 1 2
53.08 2.20 1.7253 -1 0 2 1
53.08 3.01 1.7253 1 0 2 1
53.74 7.77 1.7056 -2 3 1 2
53.74 3.89 1.7056 2 0 2 1
54.84 3.62 1.6742 3 3 1 2
54.84 3.62 1.6742 -3 3 1 2
54.84 1.81 1.6742 3 0 2 1
54.84 1.81 1.6742 -3 0 2 1
55.20 3.45 1.6641 -8 2 1 2
56.06 2.28 1.6406 -10 1 1 2
56.06 4.74 1.6406 -2 1 2 2
56.06 2.43 1.6406 2 1 2 2
56.34 4.40 1.6330 12 0 0 1
56.34 9.73 1.6330 -4 3 1 2
56.34 4.87 1.6330 4 0 2 1
57.12 13.05 1.6126 3 1 2 2
57.12 5.42 1.6126 -3 1 2 2
58.24 28.64 1.5842 5 3 1 2
58.24 3.47 1.5842 -5 3 1 2
58.24 14.32 1.5842 -5 0 2 1
58.24 1.74 1.5842 5 0 2 1
58.58 3.09 1.5757 4 1 2 2
58.58 3.40 1.5757 -4 1 2 2
58.79 1.39 1.5706 -9 2 1 2
58.79 1.27 1.5706 9 2 1 2
60.44 1.40 1.5317 -11 1 1 2
60.44 1.05 1.5317 5 1 2 2
60.44 5.46 1.5317 -5 1 2 2
60.50 1.95 1.5302 6 3 1 2
60.50 13.27 1.5302 -6 3 1 2
60.50 6.64 1.5302 6 0 2 1
62.06 2.35 1.4956 1 2 2 2
62.66 1.04 1.4827 6 1 2 2
62.66 1.04 1.4827 -6 1 2 2
63.12 3.38 1.4729 7 3 1 2
63.12 7.03 1.4729 -7 3 1 2
63.12 3.51 1.4729 7 0 2 1
63.12 1.69 1.4729 -7 0 2 1
65.03 2.88 1.4343 12 1 1 2
65.03 1.64 1.4343 -12 1 1 2
65.22 1.20 1.4304 7 1 2 2
65.22 2.26 1.4304 -7 1 2 2
66.07 1.99 1.4142 -8 3 1 2
66.07 5.35 1.4142 8 3 1 2
66.07 2.67 1.4142 -8 0 2 1
68.12 1.72 1.3765 8 1 2 2
68.88 5.30 1.3631 6 4 0 2
68.88 1.28 1.3631 -2 4 1 2
68.88 2.34 1.3631 2 4 1 2
69.83 6.79 1.3469 -3 4 1 2
69.83 2.89 1.3469 3 4 1 2
71.15 1.78 1.3252 4 4 1 2
71.15 1.57 1.3252 -4 4 1 2
72.83 2.90 1.2987 5 4 1 2
72.89 3.46 1.2978 -10 3 1 2
72.89 1.73 1.2978 10 0 2 1
74.30 2.58 1.2765 15 1 0 2
75.77 1.59 1.2554 -13 2 1 2
76.75 1.20 1.2418 -11 3 1 2
76.75 9.77 1.2418 11 3 1 2
76.75 4.89 1.2418 -11 0 2 1
77.23 1.30 1.2352 7 4 1 2
79.95 1.04 1.2000 -8 4 1 2
80.67 2.59 1.1911 14 2 1 2
80.91 2.05 1.1882 12 3 1 2
80.91 10.15 1.1882 -12 3 1 2
80.91 1.03 1.1882 -12 0 2 1
80.91 5.07 1.1882 12 0 2 1
85.37 5.84 1.1371 -13 3 1 2
85.37 3.37 1.1371 13 3 1 2
85.37 1.68 1.1371 -13 0 2 1
85.37 2.92 1.1371 13 0 2 1
85.85 1.46 1.1320 15 2 1 2
87.27 1.03 1.1172 13 1 2 2
88.51 1.16 1.1047 -12 2 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.