Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #46b based on stacking sequence ABABCABACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003064
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: 19.19303859
RIR: 0.636
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.13 4.4188 3 1 0 2
27.31 3.83 3.2660 6 0 0 1
29.78 8.13 3.0000 0 2 0 2
29.78 3.83 3.0000 0 1 1 2
30.14 1.55 2.9654 -1 1 1 2
30.14 1.39 2.9654 1 1 1 2
31.18 2.12 2.8685 -2 1 1 2
31.18 1.24 2.8685 2 1 1 2
32.85 2.85 2.7262 3 1 1 2
32.85 8.08 2.7262 -3 1 1 2
40.02 1.46 2.2528 -1 2 1 2
40.84 26.85 2.2094 6 2 0 2
40.84 13.10 2.2094 -2 2 1 2
40.84 4.69 2.2094 2 2 1 2
42.18 2.83 2.1423 3 2 1 2
42.18 2.83 2.1423 -3 2 1 2
44.00 26.23 2.0580 4 2 1 2
44.25 88.60 2.0467 9 1 0 2
44.25 10.12 2.0467 7 1 1 2
44.25 1.29 2.0467 -7 1 1 2
46.25 10.76 1.9629 5 2 1 2
46.25 3.05 1.9629 -5 2 1 2
47.95 4.86 1.8974 8 1 1 2
48.89 2.39 1.8628 6 2 1 2
48.89 13.63 1.8628 -6 2 1 2
51.89 1.20 1.7621 -9 1 1 2
51.89 3.10 1.7621 9 1 1 2
51.89 1.20 1.7621 7 2 1 2
51.89 8.95 1.7621 -7 2 1 2
53.08 2.86 1.7253 -1 3 1 2
53.08 9.69 1.7253 1 3 1 2
53.08 4.84 1.7253 -1 0 2 1
53.08 1.43 1.7253 1 0 2 1
53.74 2.07 1.7056 -2 3 1 2
53.74 10.40 1.7056 2 3 1 2
53.74 5.20 1.7056 -2 0 2 1
53.74 1.03 1.7056 2 0 2 1
54.84 30.05 1.6742 3 3 1 2
54.84 9.84 1.6742 -3 3 1 2
54.84 4.92 1.6742 3 0 2 1
54.84 15.03 1.6742 -3 0 2 1
55.20 9.39 1.6641 -8 2 1 2
55.20 1.46 1.6641 8 2 1 2
56.06 2.66 1.6406 -10 1 1 2
56.06 1.73 1.6406 -2 1 2 2
56.06 4.90 1.6406 2 1 2 2
56.34 4.06 1.6330 12 0 0 1
56.34 4.04 1.6330 4 3 1 2
56.34 2.25 1.6330 -4 3 1 2
56.34 1.13 1.6330 4 0 2 1
56.34 2.02 1.6330 -4 0 2 1
57.12 1.07 1.6126 3 1 2 2
57.12 1.07 1.6126 -3 1 2 2
58.24 3.15 1.5842 5 3 1 2
58.24 2.61 1.5842 -5 3 1 2
58.24 1.58 1.5842 -5 0 2 1
58.24 1.31 1.5842 5 0 2 1
58.58 10.41 1.5757 -4 1 2 2
60.44 4.22 1.5317 -11 1 1 2
60.44 1.27 1.5317 5 1 2 2
60.44 4.45 1.5317 -5 1 2 2
60.50 3.08 1.5302 6 3 1 2
60.50 3.08 1.5302 -6 3 1 2
60.50 1.54 1.5302 6 0 2 1
60.50 1.54 1.5302 -6 0 2 1
62.66 6.02 1.4827 6 1 2 2
62.66 1.04 1.4827 -6 1 2 2
63.12 10.17 1.4729 7 3 1 2
63.12 5.08 1.4729 -7 0 2 1
65.22 4.16 1.4304 7 1 2 2
66.07 1.25 1.4142 -8 3 1 2
66.07 6.10 1.4142 8 3 1 2
66.07 3.05 1.4142 -8 0 2 1
66.78 1.08 1.4009 11 2 1 2
68.12 4.66 1.3765 8 1 2 2
68.88 4.89 1.3631 6 4 0 2
68.88 2.62 1.3631 -2 4 1 2
69.33 1.29 1.3555 -9 3 1 2
69.33 4.74 1.3555 9 3 1 2
69.33 2.37 1.3555 -9 0 2 1
71.15 3.23 1.3252 12 2 1 2
71.15 5.47 1.3252 4 4 1 2
71.33 2.14 1.3222 -7 2 2 2
72.83 2.36 1.2987 5 4 1 2
72.89 1.24 1.2978 -10 3 1 2
74.12 1.15 1.2792 -8 2 2 2
74.30 2.38 1.2765 15 1 0 2
74.86 3.35 1.2684 -6 4 1 2
76.75 1.10 1.2418 11 3 1 2
77.23 2.37 1.2352 -7 4 1 2
79.95 2.80 1.2000 -8 4 1 2
80.91 1.66 1.1882 12 3 1 2
80.91 1.66 1.1882 -12 3 1 2
82.82 2.01 1.1655 -12 1 2 2
84.42 1.47 1.1474 11 2 2 2
85.37 10.21 1.1371 13 3 1 2
85.37 5.11 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.