Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33a based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003042
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: 19.06822162
RIR: 0.632
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.14 4.4188 3 1 0 2
27.31 3.85 3.2660 6 0 0 1
29.78 8.18 3.0000 0 2 0 2
29.78 3.86 3.0000 0 1 1 2
30.14 5.53 2.9654 -1 1 1 2
30.14 10.92 2.9654 1 1 1 2
31.18 4.98 2.8685 -2 1 1 2
32.85 2.64 2.7262 -3 1 1 2
40.02 1.22 2.2528 -1 2 1 2
40.84 27.02 2.2094 6 2 0 2
40.84 33.07 2.2094 -2 2 1 2
42.18 9.50 2.1423 -3 2 1 2
44.00 7.04 2.0580 4 2 1 2
44.00 12.68 2.0580 -4 2 1 2
44.25 89.18 2.0467 9 1 0 2
44.25 9.06 2.0467 7 1 1 2
44.25 1.77 2.0467 -7 1 1 2
46.25 2.37 1.9629 5 2 1 2
46.25 12.24 1.9629 -5 2 1 2
47.95 2.14 1.8974 8 1 1 2
47.95 1.99 1.8974 -8 1 1 2
48.89 3.07 1.8628 6 2 1 2
48.89 8.73 1.8628 -6 2 1 2
51.89 1.51 1.7621 -9 1 1 2
51.89 2.47 1.7621 9 1 1 2
51.89 2.48 1.7621 7 2 1 2
51.89 4.47 1.7621 -7 2 1 2
53.08 20.16 1.7253 1 3 1 2
53.08 10.08 1.7253 -1 0 2 1
53.74 7.22 1.7056 2 3 1 2
53.74 3.61 1.7056 -2 0 2 1
54.84 10.17 1.6742 3 3 1 2
54.84 5.09 1.6742 -3 0 2 1
55.20 10.30 1.6641 -8 2 1 2
55.20 1.14 1.6641 8 2 1 2
56.06 2.12 1.6406 10 1 1 2
56.06 12.19 1.6406 2 1 2 2
56.34 4.08 1.6330 12 0 0 1
56.34 9.03 1.6330 4 3 1 2
56.34 4.52 1.6330 -4 0 2 1
57.12 3.59 1.6126 3 1 2 2
58.24 4.72 1.5842 5 3 1 2
58.24 22.20 1.5842 -5 3 1 2
58.24 2.36 1.5842 -5 0 2 1
58.24 11.10 1.5842 5 0 2 1
58.58 5.00 1.5757 4 1 2 2
58.58 2.83 1.5757 -4 1 2 2
60.44 1.37 1.5317 11 1 1 2
60.44 2.15 1.5317 -11 1 1 2
60.44 5.07 1.5317 5 1 2 2
60.50 6.13 1.5302 -6 3 1 2
60.50 3.06 1.5302 6 0 2 1
62.06 1.16 1.4956 -1 2 2 2
62.66 3.83 1.4827 6 1 2 2
62.66 1.32 1.4827 -6 1 2 2
63.12 7.03 1.4729 -7 3 1 2
63.12 3.51 1.4729 7 0 2 1
65.22 2.10 1.4304 7 1 2 2
65.22 1.11 1.4304 -7 1 2 2
66.07 4.97 1.4142 -8 3 1 2
66.07 1.85 1.4142 8 3 1 2
66.07 2.48 1.4142 8 0 2 1
68.12 5.25 1.3765 8 1 2 2
68.88 4.92 1.3631 6 4 0 2
68.88 6.31 1.3631 -2 4 1 2
69.33 1.72 1.3555 -9 3 1 2
69.33 3.45 1.3555 9 3 1 2
69.33 1.73 1.3555 -9 0 2 1
69.83 1.36 1.3469 13 1 1 2
69.83 1.84 1.3469 -3 4 1 2
71.15 1.31 1.3252 12 2 1 2
71.15 1.53 1.3252 4 4 1 2
71.15 2.59 1.3252 -4 4 1 2
71.33 1.99 1.3222 -7 2 2 2
72.83 2.70 1.2987 -5 4 1 2
72.89 3.21 1.2978 10 3 1 2
72.89 1.61 1.2978 -10 0 2 1
74.30 2.40 1.2765 15 1 0 2
74.86 2.11 1.2684 -6 4 1 2
75.77 1.47 1.2554 13 2 1 2
76.75 7.72 1.2418 -11 3 1 2
76.75 1.58 1.2418 11 3 1 2
76.75 3.86 1.2418 11 0 2 1
77.23 1.21 1.2352 -7 4 1 2
79.95 3.24 1.2000 -8 4 1 2
80.67 1.19 1.1911 14 2 1 2
80.91 3.95 1.1882 -12 3 1 2
80.91 1.98 1.1882 12 0 2 1
85.37 6.46 1.1371 -13 3 1 2
85.37 1.28 1.1371 13 3 1 2
85.37 3.23 1.1371 13 0 2 1
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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.