Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14b based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003015
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 19.72803322
RIR: 0.654
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.10 4.4188 3 1 0 4
27.31 3.73 3.2660 6 0 0 2
29.78 7.91 3.0000 0 2 0 2
29.78 11.18 3.0000 0 1 1 4
30.14 1.51 2.9654 -1 1 1 4
31.18 7.99 2.8685 -2 1 1 4
31.18 3.44 2.8685 2 1 1 4
32.85 2.55 2.7262 -3 1 1 4
40.02 1.93 2.2528 -1 2 1 4
40.84 26.12 2.2094 6 2 0 4
40.84 16.99 2.2094 -2 2 1 4
40.84 4.57 2.2094 2 2 1 4
42.18 10.91 2.1423 3 2 1 4
42.18 1.85 2.1423 -3 2 1 4
44.00 29.95 2.0580 4 2 1 4
44.25 86.19 2.0467 9 1 0 4
44.25 12.56 2.0467 7 1 1 4
44.25 1.25 2.0467 -7 1 1 4
46.25 9.59 1.9629 -5 2 1 4
48.89 2.97 1.8628 6 2 1 4
48.89 8.43 1.8628 -6 2 1 4
51.89 1.46 1.7621 -9 1 1 4
51.89 2.39 1.7621 9 1 1 4
51.89 2.27 1.7621 -7 2 1 4
52.86 1.03 1.7321 0 3 1 4
53.08 2.78 1.7253 -1 3 1 4
53.08 12.55 1.7253 1 3 1 4
53.08 6.28 1.7253 -1 0 2 2
53.08 1.39 1.7253 1 0 2 2
53.74 1.06 1.7056 -2 3 1 4
53.74 7.85 1.7056 2 3 1 4
53.74 3.93 1.7056 -2 0 2 2
54.84 9.83 1.6742 3 3 1 4
54.84 4.92 1.6742 -3 0 2 2
55.20 11.81 1.6641 -8 2 1 4
55.20 1.42 1.6641 8 2 1 4
56.06 1.30 1.6406 10 1 1 4
56.06 1.68 1.6406 -2 1 2 4
56.06 6.36 1.6406 2 1 2 4
56.34 3.95 1.6330 12 0 0 2
56.34 15.06 1.6330 4 3 1 4
56.34 6.98 1.6330 -4 3 1 4
56.34 3.49 1.6330 4 0 2 2
56.34 7.53 1.6330 -4 0 2 2
57.12 4.10 1.6126 -3 1 2 4
58.24 3.07 1.5842 5 3 1 4
58.24 1.87 1.5842 -5 3 1 4
58.24 1.53 1.5842 -5 0 2 2
58.58 11.90 1.5757 -4 1 2 4
60.44 5.03 1.5317 -11 1 1 4
60.44 3.98 1.5317 5 1 2 4
60.50 11.16 1.5302 6 3 1 4
60.50 6.08 1.5302 -6 3 1 4
60.50 3.04 1.5302 6 0 2 2
60.50 5.58 1.5302 -6 0 2 2
61.85 1.14 1.5000 0 2 2 4
62.66 3.70 1.4827 6 1 2 4
62.66 1.28 1.4827 -6 1 2 4
63.12 10.92 1.4729 7 3 1 4
63.12 5.46 1.4729 -7 0 2 2
65.22 1.09 1.4304 7 1 2 4
66.07 3.09 1.4142 -8 3 1 4
66.07 1.55 1.4142 8 0 2 2
68.12 5.87 1.3765 8 1 2 4
68.88 4.75 1.3631 6 4 0 4
68.88 3.40 1.3631 -2 4 1 4
69.33 1.66 1.3555 -9 3 1 4
69.33 3.34 1.3555 9 3 1 4
69.33 1.67 1.3555 -9 0 2 2
69.83 2.07 1.3469 3 4 1 4
71.15 1.26 1.3252 12 2 1 4
71.15 6.26 1.3252 4 4 1 4
71.33 2.66 1.3222 -7 2 2 4
72.83 2.12 1.2987 -5 4 1 4
72.89 3.85 1.2978 10 3 1 4
72.89 1.93 1.2978 -10 0 2 2
74.30 2.32 1.2765 15 1 0 4
74.86 2.04 1.2684 -6 4 1 4
75.77 1.86 1.2554 13 2 1 4
76.75 1.07 1.2418 11 3 1 4
79.95 3.53 1.2000 -8 4 1 4
80.91 6.29 1.1882 12 3 1 4
80.91 2.66 1.1882 -12 3 1 4
80.91 3.14 1.1882 -12 0 2 2
80.91 1.33 1.1882 12 0 2 2
84.42 1.76 1.1474 11 2 2 4
85.37 11.16 1.1371 13 3 1 4
85.37 5.58 1.1371 -13 0 2 2
85.85 1.39 1.1320 -15 2 1 4
87.27 1.22 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.