Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33b based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003043
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: 19.76844841
RIR: 0.655
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 2
27.31 3.72 3.2660 6 0 0 1
29.78 7.89 3.0000 0 2 0 2
29.78 3.72 3.0000 0 1 1 2
30.14 7.57 2.9654 -1 1 1 2
30.14 2.74 2.9654 1 1 1 2
31.18 7.28 2.8685 -2 1 1 2
32.85 3.49 2.7262 -3 1 1 2
40.02 1.18 2.2528 -1 2 1 2
40.02 1.74 2.2528 1 2 1 2
40.84 26.06 2.2094 6 2 0 2
40.84 9.18 2.2094 -2 2 1 2
40.84 6.52 2.2094 2 2 1 2
42.18 9.16 2.1423 3 2 1 2
44.00 46.87 2.0580 4 2 1 2
44.25 86.02 2.0467 9 1 0 2
44.25 13.69 2.0467 7 1 1 2
46.25 2.29 1.9629 5 2 1 2
46.25 3.70 1.9629 -5 2 1 2
47.95 2.07 1.8974 8 1 1 2
48.89 5.55 1.8628 -6 2 1 2
51.89 1.18 1.7621 9 1 1 2
51.89 4.31 1.7621 -7 2 1 2
53.08 3.26 1.7253 -1 3 1 2
53.08 8.18 1.7253 1 3 1 2
53.08 4.09 1.7253 -1 0 2 1
53.08 1.63 1.7253 1 0 2 1
53.74 4.89 1.7056 -2 3 1 2
53.74 6.96 1.7056 2 3 1 2
53.74 3.48 1.7056 -2 0 2 1
53.74 2.44 1.7056 2 0 2 1
54.84 12.97 1.6742 3 3 1 2
54.84 3.16 1.6742 -3 3 1 2
54.84 1.58 1.6742 3 0 2 1
54.84 6.48 1.6742 -3 0 2 1
55.20 11.72 1.6641 -8 2 1 2
56.06 2.37 1.6406 -2 1 2 2
56.06 3.49 1.6406 2 1 2 2
56.34 3.94 1.6330 12 0 0 1
56.34 14.15 1.6330 4 3 1 2
56.34 7.08 1.6330 -4 0 2 1
57.12 3.47 1.6126 -3 1 2 2
58.24 10.57 1.5842 5 3 1 2
58.24 5.29 1.5842 -5 0 2 1
58.58 18.56 1.5757 -4 1 2 2
60.44 6.70 1.5317 -11 1 1 2
60.44 1.54 1.5317 5 1 2 2
60.50 5.91 1.5302 6 3 1 2
60.50 2.96 1.5302 -6 0 2 1
62.66 2.46 1.4827 6 1 2 2
63.12 20.34 1.4729 7 3 1 2
63.12 1.21 1.4729 -7 3 1 2
63.12 10.17 1.4729 -7 0 2 1
65.22 2.02 1.4304 7 1 2 2
66.07 1.78 1.4142 8 3 1 2
68.12 5.75 1.3765 8 1 2 2
68.88 4.75 1.3631 6 4 0 2
68.88 1.93 1.3631 -2 4 1 2
68.88 1.19 1.3631 2 4 1 2
69.33 1.86 1.3555 9 3 1 2
69.83 1.78 1.3469 3 4 1 2
71.15 1.39 1.3252 12 2 1 2
71.15 9.71 1.3252 4 4 1 2
71.33 2.86 1.3222 -7 2 2 2
72.89 2.67 1.2978 10 3 1 2
72.89 1.34 1.2978 -10 0 2 1
74.30 2.31 1.2765 15 1 0 2
74.86 1.37 1.2684 -6 4 1 2
75.77 1.37 1.2554 13 2 1 2
76.75 3.62 1.2418 11 3 1 2
76.75 1.81 1.2418 -11 0 2 1
77.23 1.17 1.2352 -7 4 1 2
79.95 3.41 1.2000 -8 4 1 2
80.67 1.78 1.1911 -14 2 1 2
80.91 3.81 1.1882 12 3 1 2
80.91 1.91 1.1882 -12 0 2 1
84.42 2.32 1.1474 11 2 2 2
85.37 19.86 1.1371 13 3 1 2
85.37 9.93 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.