Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14a based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003014
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 19.58798609
RIR: 0.649
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 4
27.31 3.75 3.2660 6 0 0 2
29.78 7.97 3.0000 0 2 0 2
29.78 11.26 3.0000 0 1 1 4
30.14 2.27 2.9654 1 1 1 4
31.18 8.04 2.8685 -2 1 1 4
32.85 3.52 2.7262 -3 1 1 4
40.84 26.30 2.2094 6 2 0 4
40.84 23.66 2.2094 -2 2 1 4
40.84 1.32 2.2094 2 2 1 4
42.18 1.86 2.1423 3 2 1 4
42.18 10.99 2.1423 -3 2 1 4
44.00 18.60 2.0580 4 2 1 4
44.00 6.76 2.0580 -4 2 1 4
44.25 86.81 2.0467 9 1 0 4
44.25 11.22 2.0467 7 1 1 4
44.25 1.97 2.0467 -7 1 1 4
46.25 8.24 1.9629 5 2 1 4
46.25 9.66 1.9629 -5 2 1 4
47.95 2.68 1.8974 8 1 1 4
48.89 5.60 1.8628 -6 2 1 4
51.89 1.19 1.7621 9 1 1 4
51.89 4.42 1.7621 -7 2 1 4
52.86 1.04 1.7321 0 3 1 4
53.08 1.18 1.7253 -1 3 1 4
53.08 15.89 1.7253 1 3 1 4
53.08 7.94 1.7253 -1 0 2 2
53.74 1.07 1.7056 -2 3 1 4
53.74 3.16 1.7056 2 3 1 4
53.74 1.58 1.7056 -2 0 2 2
54.84 13.09 1.6742 3 3 1 4
54.84 3.18 1.6742 -3 3 1 4
54.84 1.59 1.6742 3 0 2 2
54.84 6.54 1.6742 -3 0 2 2
55.20 11.37 1.6641 -8 2 1 4
55.20 1.69 1.6641 8 2 1 4
56.06 1.31 1.6406 10 1 1 4
56.06 1.81 1.6406 -10 1 1 4
56.06 8.79 1.6406 2 1 2 4
56.34 3.98 1.6330 12 0 0 2
56.34 15.17 1.6330 4 3 1 4
56.34 1.54 1.6330 -4 3 1 4
56.34 7.58 1.6330 -4 0 2 2
57.12 4.13 1.6126 3 1 2 4
58.24 7.96 1.5842 -5 3 1 4
58.24 3.98 1.5842 5 0 2 2
58.58 2.68 1.5757 4 1 2 4
58.58 7.42 1.5757 -4 1 2 4
60.44 3.73 1.5317 -11 1 1 4
60.44 4.01 1.5317 5 1 2 4
60.44 3.41 1.5317 -5 1 2 4
60.50 6.12 1.5302 6 3 1 4
60.50 11.24 1.5302 -6 3 1 4
60.50 5.62 1.5302 6 0 2 2
60.50 3.06 1.5302 -6 0 2 2
61.85 1.15 1.5000 0 2 2 4
62.66 2.48 1.4827 6 1 2 4
63.12 5.38 1.4729 7 3 1 4
63.12 2.93 1.4729 -7 3 1 4
63.12 1.47 1.4729 7 0 2 2
63.12 2.69 1.4729 -7 0 2 2
65.22 2.03 1.4304 7 1 2 4
66.07 3.11 1.4142 -8 3 1 4
66.07 4.18 1.4142 8 3 1 4
66.07 1.56 1.4142 8 0 2 2
66.07 2.09 1.4142 -8 0 2 2
68.12 5.71 1.3765 8 1 2 4
68.88 4.79 1.3631 6 4 0 4
68.88 4.62 1.3631 -2 4 1 4
69.33 1.88 1.3555 9 3 1 4
69.83 1.14 1.3469 13 1 1 4
69.83 2.08 1.3469 -3 4 1 4
71.15 1.40 1.3252 12 2 1 4
71.15 3.93 1.3252 4 4 1 4
71.15 1.40 1.3252 -4 4 1 4
71.33 2.41 1.3222 -7 2 2 4
72.83 1.81 1.2987 5 4 1 4
72.83 2.13 1.2987 -5 4 1 4
72.89 3.88 1.2978 10 3 1 4
72.89 1.20 1.2978 -10 3 1 4
72.89 1.94 1.2978 -10 0 2 2
74.30 2.33 1.2765 15 1 0 4
74.86 1.38 1.2684 -6 4 1 4
75.77 1.88 1.2554 13 2 1 4
76.75 2.81 1.2418 -11 3 1 4
76.75 1.41 1.2418 11 0 2 2
77.23 1.15 1.2352 -7 4 1 4
79.95 3.48 1.2000 -8 4 1 4
80.91 2.68 1.1882 12 3 1 4
80.91 6.33 1.1882 -12 3 1 4
80.91 1.34 1.1882 -12 0 2 2
80.91 3.17 1.1882 12 0 2 2
84.42 1.32 1.1474 11 2 2 4
85.37 2.86 1.1371 -13 3 1 4
85.37 5.87 1.1371 13 3 1 4
85.37 2.94 1.1371 -13 0 2 2
85.37 1.43 1.1371 13 0 2 2
85.85 1.40 1.1320 15 2 1 4
87.27 1.23 1.1172 -13 1 2 4
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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.