Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32b based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003041
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: 18.95336165
RIR: 0.628
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.15 4.4188 3 1 0 2
27.31 3.88 3.2660 6 0 0 1
29.78 8.23 3.0000 0 2 0 2
29.78 3.88 3.0000 0 1 1 2
30.14 13.05 2.9654 -1 1 1 2
30.14 1.41 2.9654 1 1 1 2
31.18 2.15 2.8685 -2 1 1 2
31.18 3.85 2.8685 2 1 1 2
32.85 2.65 2.7262 -3 1 1 2
35.07 1.21 2.5584 -4 1 1 2
40.02 3.24 2.2528 -1 2 1 2
40.84 27.19 2.2094 6 2 0 2
40.84 1.70 2.2094 6 1 1 2
40.84 1.30 2.2094 -6 1 1 2
40.84 13.27 2.2094 -2 2 1 2
40.84 5.45 2.2094 2 2 1 2
42.18 13.49 2.1423 3 2 1 2
42.18 4.06 2.1423 -3 2 1 2
44.00 26.57 2.0580 4 2 1 2
44.00 6.59 2.0580 -4 2 1 2
44.25 89.72 2.0467 9 1 0 2
44.25 10.25 2.0467 7 1 1 2
46.25 2.44 1.9629 5 2 1 2
46.25 3.09 1.9629 -5 2 1 2
47.95 2.93 1.8974 8 1 1 2
48.89 3.09 1.8628 6 2 1 2
48.89 8.78 1.8628 -6 2 1 2
51.89 1.52 1.7621 -9 1 1 2
51.89 2.48 1.7621 9 1 1 2
51.89 1.21 1.7621 7 2 1 2
51.89 6.86 1.7621 -7 2 1 2
53.08 2.22 1.7253 -1 3 1 2
53.08 9.81 1.7253 1 3 1 2
53.08 4.91 1.7253 -1 0 2 1
53.08 1.11 1.7253 1 0 2 1
53.74 2.09 1.7056 -2 3 1 2
53.74 15.43 1.7056 2 3 1 2
53.74 7.72 1.7056 -2 0 2 1
53.74 1.05 1.7056 2 0 2 1
54.84 10.24 1.6742 3 3 1 2
54.84 5.12 1.6742 -3 0 2 1
55.20 9.50 1.6641 -8 2 1 2
55.41 1.18 1.6581 1 1 2 2
56.06 1.96 1.6406 -2 1 2 2
56.06 4.96 1.6406 2 1 2 2
56.34 4.11 1.6330 12 0 0 1
56.34 4.09 1.6330 4 3 1 2
56.34 7.95 1.6330 -4 3 1 2
56.34 3.98 1.6330 4 0 2 1
56.34 2.04 1.6330 -4 0 2 1
57.12 1.56 1.6126 3 1 2 2
57.12 5.12 1.6126 -3 1 2 2
58.24 15.72 1.5842 5 3 1 2
58.24 2.64 1.5842 -5 3 1 2
58.24 7.86 1.5842 -5 0 2 1
58.24 1.32 1.5842 5 0 2 1
58.58 2.57 1.5757 4 1 2 2
58.58 10.54 1.5757 -4 1 2 2
60.44 4.27 1.5317 -11 1 1 2
60.44 1.28 1.5317 5 1 2 2
60.44 1.01 1.5317 -5 1 2 2
60.50 6.96 1.5302 6 3 1 2
60.50 1.67 1.5302 -6 3 1 2
60.50 3.48 1.5302 -6 0 2 1
62.06 1.37 1.4956 1 2 2 2
62.66 3.85 1.4827 6 1 2 2
62.66 1.33 1.4827 -6 1 2 2
63.12 10.29 1.4729 7 3 1 2
63.12 5.30 1.4729 -7 3 1 2
63.12 2.65 1.4729 7 0 2 1
63.12 5.15 1.4729 -7 0 2 1
65.03 1.04 1.4343 -12 1 1 2
65.22 3.24 1.4304 7 1 2 2
66.07 1.27 1.4142 -8 3 1 2
66.07 1.94 1.4142 8 3 1 2
66.78 1.37 1.4009 11 2 1 2
68.12 4.72 1.3765 8 1 2 2
68.88 4.95 1.3631 6 4 0 2
68.88 2.66 1.3631 -2 4 1 2
69.33 1.73 1.3555 -9 3 1 2
69.33 3.47 1.3555 9 3 1 2
69.33 1.74 1.3555 -9 0 2 1
69.83 2.65 1.3469 3 4 1 2
71.15 1.31 1.3252 12 2 1 2
71.15 5.54 1.3252 4 4 1 2
71.15 1.31 1.3252 -4 4 1 2
71.33 2.17 1.3222 -7 2 2 2
72.89 1.01 1.2978 10 3 1 2
74.30 2.41 1.2765 15 1 0 2
74.86 2.12 1.2684 -6 4 1 2
76.75 5.35 1.2418 11 3 1 2
76.75 2.67 1.2418 -11 0 2 1
77.23 1.89 1.2352 -7 4 1 2
79.95 2.83 1.2000 -8 4 1 2
80.67 1.68 1.1911 14 2 1 2
80.91 4.78 1.1882 12 3 1 2
80.91 2.39 1.1882 -12 0 2 1
84.42 1.49 1.1474 11 2 2 2
85.37 4.50 1.1371 -13 3 1 2
85.37 10.34 1.1371 13 3 1 2
85.37 5.17 1.1371 -13 0 2 1
85.37 2.25 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.