Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #45a based on stacking sequence ABABCABABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003061
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: 19.96652161
RIR: 0.662
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.09 4.4188 3 1 0 2
27.31 3.68 3.2660 6 0 0 1
29.78 7.81 3.0000 0 2 0 2
29.78 3.68 3.0000 0 1 1 2
30.14 3.19 2.9654 -1 1 1 2
31.18 15.10 2.8685 -2 1 1 2
31.18 2.04 2.8685 2 1 1 2
40.02 2.52 2.2528 1 2 1 2
40.84 25.81 2.2094 6 2 0 2
40.84 18.09 2.2094 -2 2 1 2
40.84 1.62 2.2094 2 2 1 2
42.18 2.72 2.1423 3 2 1 2
42.18 2.72 2.1423 -3 2 1 2
44.00 36.22 2.0580 4 2 1 2
44.00 3.22 2.0580 -4 2 1 2
44.25 85.16 2.0467 9 1 0 2
44.25 14.34 2.0467 7 1 1 2
46.25 2.94 1.9629 5 2 1 2
46.25 13.14 1.9629 -5 2 1 2
48.89 2.11 1.8628 6 2 1 2
48.89 2.11 1.8628 -6 2 1 2
51.89 1.15 1.7621 -7 2 1 2
53.08 13.56 1.7253 1 3 1 2
53.08 6.78 1.7253 -1 0 2 1
53.74 5.89 1.7056 -2 3 1 2
53.74 1.99 1.7056 2 3 1 2
53.74 2.94 1.7056 2 0 2 1
54.84 3.21 1.6742 3 3 1 2
54.84 3.21 1.6742 -3 3 1 2
54.84 1.61 1.6742 3 0 2 1
54.84 1.61 1.6742 -3 0 2 1
55.20 13.32 1.6641 -8 2 1 2
56.06 1.57 1.6406 10 1 1 2
56.06 6.77 1.6406 2 1 2 2
56.34 3.90 1.6330 12 0 0 1
56.34 28.89 1.6330 4 3 1 2
56.34 3.88 1.6330 -4 3 1 2
56.34 1.94 1.6330 4 0 2 1
56.34 14.45 1.6330 -4 0 2 1
57.12 1.02 1.6126 3 1 2 2
57.12 1.02 1.6126 -3 1 2 2
58.24 3.74 1.5842 5 3 1 2
58.24 1.89 1.5842 -5 3 1 2
58.24 1.87 1.5842 -5 0 2 1
58.58 1.27 1.5757 4 1 2 2
58.58 14.38 1.5757 -4 1 2 2
60.44 5.91 1.5317 -11 1 1 2
60.44 5.45 1.5317 5 1 2 2
60.44 1.22 1.5317 -5 1 2 2
60.50 2.96 1.5302 6 3 1 2
60.50 2.96 1.5302 -6 3 1 2
60.50 1.48 1.5302 6 0 2 1
60.50 1.48 1.5302 -6 0 2 1
62.66 1.69 1.4827 2 2 2 2
63.12 13.67 1.4729 7 3 1 2
63.12 1.98 1.4729 -7 3 1 2
63.12 6.83 1.4729 -7 0 2 1
66.07 3.78 1.4142 -8 3 1 2
66.07 1.20 1.4142 8 3 1 2
66.07 1.89 1.4142 8 0 2 1
68.12 6.61 1.3765 8 1 2 2
68.88 4.70 1.3631 6 4 0 2
68.88 3.63 1.3631 -2 4 1 2
69.83 1.03 1.3469 13 1 1 2
71.15 7.56 1.3252 4 4 1 2
71.33 3.03 1.3222 -7 2 2 2
72.83 2.91 1.2987 -5 4 1 2
72.89 6.45 1.2978 10 3 1 2
72.89 3.23 1.2978 -10 0 2 1
74.30 2.29 1.2765 15 1 0 2
75.77 3.19 1.2554 13 2 1 2
76.75 1.27 1.2418 11 3 1 2
79.95 3.97 1.2000 -8 4 1 2
80.91 1.60 1.1882 12 3 1 2
80.91 1.60 1.1882 -12 3 1 2
84.42 2.07 1.1474 11 2 2 2
85.37 1.77 1.1371 -13 3 1 2
85.37 13.84 1.1371 13 3 1 2
85.37 6.92 1.1371 -13 0 2 1
87.27 2.11 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.