Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #45b based on stacking sequence ABABCABABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003062
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: 19.54637976
RIR: 0.648
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.11 4.4188 3 1 0 2
27.31 3.76 3.2660 6 0 0 1
29.78 7.98 3.0000 0 2 0 2
29.78 3.76 3.0000 0 1 1 2
30.14 3.26 2.9654 -1 1 1 2
30.14 3.80 2.9654 1 1 1 2
31.18 12.91 2.8685 -2 1 1 2
31.18 2.08 2.8685 2 1 1 2
40.84 26.36 2.2094 6 2 0 2
40.84 28.32 2.2094 -2 2 1 2
40.84 1.65 2.2094 2 2 1 2
42.18 2.78 2.1423 3 2 1 2
42.18 2.78 2.1423 -3 2 1 2
44.00 19.62 2.0580 4 2 1 2
44.00 3.29 2.0580 -4 2 1 2
44.25 87.00 2.0467 9 1 0 2
44.25 12.50 2.0467 7 1 1 2
46.25 3.00 1.9629 5 2 1 2
46.25 21.62 1.9629 -5 2 1 2
47.95 2.54 1.8974 -8 1 1 2
48.89 2.15 1.8628 6 2 1 2
48.89 2.15 1.8628 -6 2 1 2
51.89 2.77 1.7621 7 2 1 2
51.89 1.18 1.7621 -7 2 1 2
53.08 18.73 1.7253 1 3 1 2
53.08 9.37 1.7253 -1 0 2 1
53.74 1.26 1.7056 -2 3 1 2
53.74 2.03 1.7056 2 3 1 2
53.74 1.01 1.7056 -2 0 2 1
54.84 3.28 1.6742 3 3 1 2
54.84 3.28 1.6742 -3 3 1 2
54.84 1.64 1.6742 3 0 2 1
54.84 1.64 1.6742 -3 0 2 1
55.20 12.83 1.6641 -8 2 1 2
56.06 3.38 1.6406 10 1 1 2
56.06 10.50 1.6406 2 1 2 2
56.34 3.98 1.6330 12 0 0 1
56.34 24.01 1.6330 4 3 1 2
56.34 3.97 1.6330 -4 3 1 2
56.34 1.98 1.6330 4 0 2 1
56.34 12.01 1.6330 -4 0 2 1
57.12 1.05 1.6126 3 1 2 2
57.12 1.05 1.6126 -3 1 2 2
58.24 3.82 1.5842 5 3 1 2
58.24 11.07 1.5842 -5 3 1 2
58.24 1.91 1.5842 -5 0 2 1
58.24 5.53 1.5842 5 0 2 1
58.58 1.29 1.5757 4 1 2 2
58.58 7.83 1.5757 -4 1 2 2
60.44 4.04 1.5317 -11 1 1 2
60.44 8.96 1.5317 5 1 2 2
60.44 1.24 1.5317 -5 1 2 2
60.50 3.03 1.5302 6 3 1 2
60.50 3.03 1.5302 -6 3 1 2
60.50 1.51 1.5302 6 0 2 1
60.50 1.51 1.5302 -6 0 2 1
62.66 1.43 1.4827 2 2 2 2
63.12 5.51 1.4729 7 3 1 2
63.12 2.02 1.4729 -7 3 1 2
63.12 1.01 1.4729 7 0 2 1
63.12 2.76 1.4729 -7 0 2 1
65.22 1.23 1.4304 -7 1 2 2
66.07 7.96 1.4142 -8 3 1 2
66.07 1.23 1.4142 8 3 1 2
66.07 3.98 1.4142 8 0 2 1
68.12 6.46 1.3765 8 1 2 2
68.88 4.80 1.3631 6 4 0 2
68.88 5.51 1.3631 -2 4 1 2
69.83 1.33 1.3469 13 1 1 2
71.15 4.15 1.3252 4 4 1 2
71.33 2.69 1.3222 -7 2 2 2
72.83 4.77 1.2987 -5 4 1 2
72.89 7.02 1.2978 10 3 1 2
72.89 3.51 1.2978 -10 0 2 1
74.30 2.34 1.2765 15 1 0 2
75.77 3.32 1.2554 13 2 1 2
76.75 3.89 1.2418 -11 3 1 2
76.75 1.30 1.2418 11 3 1 2
76.75 1.95 1.2418 11 0 2 1
79.95 3.93 1.2000 -8 4 1 2
80.67 1.00 1.1911 -10 2 2 2
80.91 1.63 1.1882 12 3 1 2
80.91 1.63 1.1882 -12 3 1 2
84.42 1.43 1.1474 11 2 2 2
85.37 1.81 1.1371 -13 3 1 2
85.37 6.07 1.1371 13 3 1 2
85.37 3.03 1.1371 -13 0 2 1
87.27 2.17 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.