Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #42b based on stacking sequence ABABACBABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003058
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: 19.14322292
RIR: 0.635
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.14 4.4188 3 1 0 2
27.31 3.84 3.2660 6 0 0 1
29.78 8.15 3.0000 0 2 0 2
29.78 3.84 3.0000 0 1 1 2
30.14 6.44 2.9654 -1 1 1 2
30.14 1.62 2.9654 1 1 1 2
31.18 8.50 2.8685 -2 1 1 2
31.18 2.12 2.8685 2 1 1 2
32.85 3.60 2.7262 3 1 1 2
40.02 2.05 2.2528 1 2 1 2
40.84 26.92 2.2094 6 2 0 2
40.84 1.68 2.2094 6 1 1 2
40.84 1.29 2.2094 -6 1 1 2
40.84 5.41 2.2094 -2 2 1 2
40.84 11.10 2.2094 2 2 1 2
42.18 13.36 2.1423 3 2 1 2
42.18 4.01 2.1423 -3 2 1 2
44.00 27.66 2.0580 4 2 1 2
44.00 5.36 2.0580 -4 2 1 2
44.25 88.83 2.0467 9 1 0 2
44.25 8.08 2.0467 7 1 1 2
44.25 3.09 2.0467 -7 1 1 2
46.25 3.06 1.9629 5 2 1 2
46.25 12.25 1.9629 -5 2 1 2
47.95 2.74 1.8974 -8 1 1 2
48.89 5.73 1.8628 6 2 1 2
51.89 1.21 1.7621 -9 1 1 2
51.89 4.81 1.7621 7 2 1 2
51.89 1.20 1.7621 -7 2 1 2
53.08 6.59 1.7253 -1 3 1 2
53.08 4.83 1.7253 1 3 1 2
53.08 2.41 1.7253 -1 0 2 1
53.08 3.29 1.7253 1 0 2 1
53.74 8.28 1.7056 -2 3 1 2
53.74 2.07 1.7056 2 3 1 2
53.74 1.04 1.7056 -2 0 2 1
53.74 4.14 1.7056 2 0 2 1
54.84 3.26 1.6742 3 3 1 2
54.84 13.39 1.6742 -3 3 1 2
54.84 6.70 1.6742 3 0 2 1
54.84 1.63 1.6742 -3 0 2 1
55.20 6.92 1.6641 -8 2 1 2
55.20 3.37 1.6641 8 2 1 2
56.06 2.15 1.6406 10 1 1 2
56.06 4.08 1.6406 -2 1 2 2
56.06 2.06 1.6406 2 1 2 2
56.34 4.07 1.6330 12 0 0 1
56.34 16.20 1.6330 4 3 1 2
56.34 4.05 1.6330 -4 3 1 2
56.34 2.02 1.6330 4 0 2 1
56.34 8.10 1.6330 -4 0 2 1
57.12 1.54 1.6126 3 1 2 2
57.12 5.07 1.6126 -3 1 2 2
58.24 10.22 1.5842 5 3 1 2
58.24 5.11 1.5842 -5 0 2 1
58.58 2.13 1.5757 4 1 2 2
58.58 10.95 1.5757 -4 1 2 2
60.44 3.96 1.5317 -11 1 1 2
60.44 5.07 1.5317 5 1 2 2
60.44 1.27 1.5317 -5 1 2 2
60.50 6.89 1.5302 6 3 1 2
60.50 1.66 1.5302 -6 3 1 2
60.50 3.45 1.5302 -6 0 2 1
62.66 2.54 1.4827 -6 1 2 2
63.12 12.00 1.4729 7 3 1 2
63.12 2.31 1.4729 -7 3 1 2
63.12 1.16 1.4729 7 0 2 1
63.12 6.00 1.4729 -7 0 2 1
65.03 1.03 1.4343 -12 1 1 2
65.22 2.23 1.4304 -7 1 2 2
66.07 5.03 1.4142 -8 3 1 2
66.07 1.26 1.4142 8 3 1 2
66.07 2.51 1.4142 8 0 2 1
68.12 3.39 1.3765 8 1 2 2
68.12 1.71 1.3765 -8 1 2 2
68.88 4.90 1.3631 6 4 0 2
68.88 1.14 1.3631 -2 4 1 2
68.88 2.10 1.3631 2 4 1 2
69.33 1.92 1.3555 -9 3 1 2
69.83 2.62 1.3469 3 4 1 2
71.15 1.43 1.3252 -12 2 1 2
71.15 5.73 1.3252 4 4 1 2
71.15 1.12 1.3252 -4 4 1 2
71.33 1.69 1.3222 -7 2 2 2
72.83 2.70 1.2987 -5 4 1 2
72.89 3.98 1.2978 10 3 1 2
72.89 1.99 1.2978 -10 0 2 1
74.30 2.39 1.2765 15 1 0 2
74.86 1.41 1.2684 6 4 1 2
75.77 1.92 1.2554 13 2 1 2
76.75 3.52 1.2418 11 3 1 2
76.75 1.76 1.2418 -11 0 2 1
77.23 1.28 1.2352 7 4 1 2
79.95 2.01 1.2000 -8 4 1 2
79.95 1.05 1.2000 8 4 1 2
80.67 1.05 1.1911 -14 2 1 2
80.91 4.73 1.1882 12 3 1 2
80.91 2.37 1.1882 -12 0 2 1
84.42 1.37 1.1474 11 2 2 2
85.37 2.21 1.1371 -13 3 1 2
85.37 11.72 1.1371 13 3 1 2
85.37 5.86 1.1371 -13 0 2 1
85.37 1.11 1.1371 13 0 2 1
87.27 1.26 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.