Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34a based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003044
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: 18.03983915
RIR: 0.598
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.21 4.4188 3 1 0 2
27.31 4.07 3.2660 6 0 0 1
29.78 8.65 3.0000 0 2 0 2
29.78 4.08 3.0000 0 1 1 2
30.14 10.60 2.9654 -1 1 1 2
30.14 4.95 2.9654 1 1 1 2
31.18 1.32 2.8685 -2 1 1 2
31.18 2.25 2.8685 2 1 1 2
32.85 2.87 2.7262 3 1 1 2
32.85 2.87 2.7262 -3 1 1 2
40.02 1.56 2.2528 1 2 1 2
40.84 28.56 2.2094 6 2 0 2
40.84 2.50 2.2094 6 1 1 2
40.84 3.33 2.2094 -6 1 1 2
40.84 14.98 2.2094 -2 2 1 2
40.84 5.37 2.2094 2 2 1 2
42.18 5.51 2.1423 3 2 1 2
42.18 25.34 2.1423 -3 2 1 2
44.00 3.19 2.0580 4 2 1 2
44.00 10.69 2.0580 -4 2 1 2
44.25 94.26 2.0467 9 1 0 2
44.25 4.10 2.0467 7 1 1 2
44.25 1.64 2.0467 -7 1 1 2
46.25 3.25 1.9629 5 2 1 2
46.25 11.45 1.9629 -5 2 1 2
47.95 5.17 1.8974 -8 1 1 2
48.89 7.00 1.8628 6 2 1 2
48.89 7.00 1.8628 -6 2 1 2
51.89 2.17 1.7621 -9 1 1 2
51.89 2.17 1.7621 9 1 1 2
51.89 9.52 1.7621 7 2 1 2
51.89 1.28 1.7621 -7 2 1 2
53.08 2.71 1.7253 -1 3 1 2
53.08 9.13 1.7253 1 3 1 2
53.08 4.57 1.7253 -1 0 2 1
53.08 1.36 1.7253 1 0 2 1
53.74 11.06 1.7056 -2 3 1 2
53.74 2.20 1.7056 2 3 1 2
53.74 1.10 1.7056 -2 0 2 1
53.74 5.53 1.7056 2 0 2 1
54.84 10.66 1.6742 3 3 1 2
54.84 10.66 1.6742 -3 3 1 2
54.84 5.33 1.6742 3 0 2 1
54.84 5.33 1.6742 -3 0 2 1
55.20 4.66 1.6641 -8 2 1 2
55.20 1.39 1.6641 8 2 1 2
56.06 2.83 1.6406 10 1 1 2
56.06 1.95 1.6406 -2 1 2 2
56.06 5.52 1.6406 2 1 2 2
56.34 4.32 1.6330 12 0 0 1
56.34 2.40 1.6330 4 3 1 2
56.34 4.30 1.6330 -4 3 1 2
56.34 2.15 1.6330 4 0 2 1
56.34 1.20 1.6330 -4 0 2 1
57.12 9.63 1.6126 3 1 2 2
57.12 2.15 1.6126 -3 1 2 2
58.24 12.43 1.5842 5 3 1 2
58.24 10.06 1.5842 -5 3 1 2
58.24 6.21 1.5842 -5 0 2 1
58.24 5.03 1.5842 5 0 2 1
58.58 4.21 1.5757 4 1 2 2
58.58 1.28 1.5757 -4 1 2 2
60.44 1.09 1.5317 11 1 1 2
60.44 4.73 1.5317 5 1 2 2
60.44 1.35 1.5317 -5 1 2 2
60.50 11.35 1.5302 -6 3 1 2
60.50 5.67 1.5302 6 0 2 1
62.06 1.11 1.4956 1 2 2 2
62.66 3.07 1.4827 6 1 2 2
62.66 3.07 1.4827 -6 1 2 2
63.12 6.57 1.4729 -7 3 1 2
63.12 3.28 1.4729 7 0 2 1
65.03 2.01 1.4343 12 1 1 2
65.22 4.42 1.4304 -7 1 2 2
66.07 6.49 1.4142 -8 3 1 2
66.07 1.33 1.4142 8 3 1 2
66.07 3.24 1.4142 8 0 2 1
66.78 1.15 1.4009 -11 2 1 2
68.12 2.38 1.3765 8 1 2 2
68.88 5.20 1.3631 6 4 0 2
68.88 2.86 1.3631 -2 4 1 2
69.33 2.89 1.3555 -9 3 1 2
69.33 2.89 1.3555 9 3 1 2
69.33 1.45 1.3555 -9 0 2 1
69.33 1.45 1.3555 9 0 2 1
69.83 4.99 1.3469 -3 4 1 2
69.83 1.17 1.3469 3 4 1 2
71.15 1.18 1.3252 12 2 1 2
71.15 1.18 1.3252 -12 2 1 2
71.15 2.18 1.3252 -4 4 1 2
72.83 2.51 1.2987 -5 4 1 2
72.89 1.32 1.2978 10 3 1 2
72.89 1.06 1.2978 -10 3 1 2
74.12 1.22 1.2792 8 2 2 2
74.30 2.53 1.2765 15 1 0 2
74.86 1.68 1.2684 6 4 1 2
74.86 1.68 1.2684 -6 4 1 2
76.75 3.50 1.2418 -11 3 1 2
76.75 4.23 1.2418 11 3 1 2
76.75 1.75 1.2418 11 0 2 1
76.75 2.11 1.2418 -11 0 2 1
77.23 2.53 1.2352 7 4 1 2
79.95 1.47 1.2000 -8 4 1 2
80.67 1.53 1.1911 14 2 1 2
80.91 8.27 1.1882 -12 3 1 2
80.91 4.13 1.1882 12 0 2 1
85.37 5.88 1.1371 -13 3 1 2
85.37 2.94 1.1371 13 0 2 1
85.85 1.27 1.1320 15 2 1 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.