Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #27 based on stacking sequence ABABABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003034
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: 18.03163169
RIR: 0.598
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.21 4.4188 3 1 0 2
27.31 4.08 3.2660 6 0 0 1
29.78 8.65 3.0000 0 2 0 2
29.78 12.23 3.0000 0 1 1 2
30.14 6.28 2.9654 -1 1 1 2
30.14 9.94 2.9654 1 1 1 2
31.18 1.03 2.8685 -2 1 1 2
31.18 3.76 2.8685 2 1 1 2
40.02 2.11 2.2528 -1 2 1 2
40.84 28.57 2.2094 6 2 0 2
40.84 3.46 2.2094 6 1 1 2
40.84 5.11 2.2094 -6 1 1 2
40.84 12.14 2.2094 -2 2 1 2
40.84 1.46 2.2094 2 2 1 2
42.18 5.76 2.1423 3 2 1 2
42.18 45.44 2.1423 -3 2 1 2
44.00 1.92 2.0580 4 2 1 2
44.00 20.75 2.0580 -4 2 1 2
44.25 94.30 2.0467 9 1 0 2
44.25 1.68 2.0467 7 1 1 2
44.25 4.01 2.0467 -7 1 1 2
46.25 8.95 1.9629 -5 2 1 2
47.95 2.91 1.8974 -8 1 1 2
48.89 2.33 1.8628 6 2 1 2
48.89 2.33 1.8628 -6 2 1 2
51.89 4.80 1.7621 7 2 1 2
51.89 2.48 1.7621 -7 2 1 2
52.86 1.12 1.7321 0 3 1 2
53.08 1.33 1.7253 -1 3 1 2
53.08 6.62 1.7253 1 3 1 2
53.08 3.31 1.7253 -1 0 2 1
53.74 3.44 1.7056 -2 3 1 2
53.74 8.59 1.7056 2 3 1 2
53.74 4.30 1.7056 -2 0 2 1
53.74 1.72 1.7056 2 0 2 1
54.84 3.55 1.6742 3 3 1 2
54.84 3.55 1.6742 -3 3 1 2
54.84 1.78 1.6742 3 0 2 1
54.84 1.78 1.6742 -3 0 2 1
55.20 2.20 1.6641 -8 2 1 2
55.20 3.04 1.6641 8 2 1 2
56.06 1.96 1.6406 10 1 1 2
56.06 4.44 1.6406 2 1 2 2
56.34 4.32 1.6330 12 0 0 1
56.34 1.68 1.6330 4 3 1 2
56.34 7.64 1.6330 -4 3 1 2
56.34 3.82 1.6330 4 0 2 1
57.12 17.24 1.6126 3 1 2 2
57.12 2.25 1.6126 -3 1 2 2
58.24 5.04 1.5842 5 3 1 2
58.24 14.94 1.5842 -5 3 1 2
58.24 2.52 1.5842 -5 0 2 1
58.24 7.47 1.5842 5 0 2 1
58.58 8.19 1.5757 4 1 2 2
58.79 1.30 1.5706 -9 2 1 2
58.79 1.07 1.5706 9 2 1 2
60.44 2.50 1.5317 11 1 1 2
60.44 3.70 1.5317 5 1 2 2
60.50 2.08 1.5302 6 3 1 2
60.50 24.32 1.5302 -6 3 1 2
60.50 12.16 1.5302 6 0 2 1
60.50 1.04 1.5302 -6 0 2 1
61.85 1.25 1.5000 0 2 2 2
62.06 1.05 1.4956 -1 2 2 2
62.66 1.02 1.4827 6 1 2 2
62.66 1.02 1.4827 -6 1 2 2
63.12 1.46 1.4729 7 3 1 2
63.12 10.62 1.4729 -7 3 1 2
63.12 5.31 1.4729 7 0 2 1
65.03 3.37 1.4343 12 1 1 2
65.22 1.19 1.4304 7 1 2 2
65.22 2.21 1.4304 -7 1 2 2
66.07 4.54 1.4142 -8 3 1 2
66.07 2.27 1.4142 8 0 2 1
68.12 1.15 1.3765 8 1 2 2
68.12 1.47 1.3765 -8 1 2 2
68.88 5.20 1.3631 6 4 0 2
68.88 2.25 1.3631 -2 4 1 2
69.83 8.89 1.3469 -3 4 1 2
69.83 1.24 1.3469 3 4 1 2
71.15 4.26 1.3252 -4 4 1 2
72.83 1.97 1.2987 -5 4 1 2
72.89 1.30 1.2978 10 3 1 2
74.30 2.54 1.2765 15 1 0 2
76.75 5.14 1.2418 -11 3 1 2
76.75 1.68 1.2418 11 3 1 2
76.75 2.57 1.2418 11 0 2 1
77.23 1.25 1.2352 7 4 1 2
80.67 1.54 1.1911 14 2 1 2
80.91 16.63 1.1882 -12 3 1 2
80.91 8.32 1.1882 12 0 2 1
85.37 9.95 1.1371 -13 3 1 2
85.37 1.20 1.1371 13 3 1 2
85.37 4.97 1.1371 13 0 2 1
85.85 2.80 1.1320 15 2 1 2
88.51 1.33 1.1047 -12 2 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.