Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #48a based on stacking sequence ABABCABCABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003067
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: 18.27130648
RIR: 0.606
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.19 4.4188 3 1 0 2
27.31 4.02 3.2660 6 0 0 1
29.78 8.54 3.0000 0 2 0 2
29.78 4.02 3.0000 0 1 1 2
30.14 3.49 2.9654 -1 1 1 2
31.18 2.23 2.8685 -2 1 1 2
31.18 5.75 2.8685 2 1 1 2
32.85 3.62 2.7262 -3 1 1 2
35.07 2.34 2.5584 -4 1 1 2
40.02 6.18 2.2528 -1 2 1 2
40.84 28.20 2.2094 6 2 0 2
40.84 1.35 2.2094 6 1 1 2
40.84 1.76 2.2094 -6 1 1 2
40.84 10.93 2.2094 -2 2 1 2
40.84 1.77 2.2094 2 2 1 2
42.18 4.21 2.1423 3 2 1 2
42.18 14.00 2.1423 -3 2 1 2
44.00 13.07 2.0580 4 2 1 2
44.00 3.52 2.0580 -4 2 1 2
44.25 93.07 2.0467 9 1 0 2
44.25 6.39 2.0467 7 1 1 2
46.25 1.86 1.9629 5 2 1 2
46.25 3.21 1.9629 -5 2 1 2
47.95 5.35 1.8974 8 1 1 2
48.89 10.91 1.8628 6 2 1 2
48.89 16.81 1.8628 -6 2 1 2
51.89 4.31 1.7621 -9 1 1 2
51.89 5.31 1.7621 9 1 1 2
51.89 1.26 1.7621 7 2 1 2
51.89 12.98 1.7621 -7 2 1 2
53.08 7.65 1.7253 1 3 1 2
53.08 3.82 1.7253 -1 0 2 1
53.74 2.17 1.7056 -2 3 1 2
53.74 29.85 1.7056 2 3 1 2
53.74 14.93 1.7056 -2 0 2 1
53.74 1.08 1.7056 2 0 2 1
54.84 14.22 1.6742 3 3 1 2
54.84 3.60 1.6742 -3 3 1 2
54.84 1.80 1.6742 3 0 2 1
54.84 7.11 1.6742 -3 0 2 1
55.20 6.24 1.6641 -8 2 1 2
55.41 2.25 1.6581 1 1 2 2
56.06 1.23 1.6406 -10 1 1 2
56.06 4.07 1.6406 2 1 2 2
56.34 4.26 1.6330 12 0 0 1
56.34 4.24 1.6330 4 3 1 2
56.34 12.26 1.6330 -4 3 1 2
56.34 6.13 1.6330 4 0 2 1
56.34 2.12 1.6330 -4 0 2 1
57.12 5.32 1.6126 3 1 2 2
57.12 1.62 1.6126 -3 1 2 2
58.24 4.09 1.5842 5 3 1 2
58.24 2.64 1.5842 -5 3 1 2
58.24 2.05 1.5842 -5 0 2 1
58.24 1.32 1.5842 5 0 2 1
58.58 1.38 1.5757 4 1 2 2
58.58 5.20 1.5757 -4 1 2 2
60.44 2.36 1.5317 -11 1 1 2
60.44 1.33 1.5317 5 1 2 2
60.50 1.74 1.5302 6 3 1 2
60.50 7.22 1.5302 -6 3 1 2
60.50 3.61 1.5302 6 0 2 1
62.66 7.35 1.4827 6 1 2 2
62.66 4.73 1.4827 -6 1 2 2
63.12 4.39 1.4729 7 3 1 2
63.12 2.16 1.4729 -7 3 1 2
63.12 1.08 1.4729 7 0 2 1
63.12 2.20 1.4729 -7 0 2 1
65.03 1.08 1.4343 12 1 1 2
65.22 6.14 1.4304 7 1 2 2
66.07 1.32 1.4142 -8 3 1 2
66.07 2.71 1.4142 8 3 1 2
66.07 1.35 1.4142 -8 0 2 1
66.78 2.66 1.4009 11 2 1 2
68.12 3.12 1.3765 8 1 2 2
68.31 1.19 1.3731 -1 4 1 2
68.88 5.13 1.3631 6 4 0 2
68.88 2.16 1.3631 -2 4 1 2
69.33 5.29 1.3555 -9 3 1 2
69.33 7.09 1.3555 9 3 1 2
69.33 3.55 1.3555 -9 0 2 1
69.33 2.64 1.3555 9 0 2 1
69.83 2.75 1.3469 -3 4 1 2
71.15 2.00 1.3252 12 2 1 2
71.15 2.74 1.3252 4 4 1 2
71.33 1.36 1.3222 -7 2 2 2
72.89 1.04 1.2978 10 3 1 2
74.12 1.30 1.2792 -8 2 2 2
74.30 2.50 1.2765 15 1 0 2
74.86 2.57 1.2684 6 4 1 2
74.86 4.03 1.2684 -6 4 1 2
76.75 1.39 1.2418 11 3 1 2
77.23 3.59 1.2352 -7 4 1 2
77.23 1.13 1.2352 9 2 2 2
77.23 1.40 1.2352 -9 2 2 2
78.68 1.57 1.2161 -11 1 2 2
79.95 1.88 1.2000 -8 4 1 2
80.91 1.04 1.1882 12 3 1 2
80.91 4.96 1.1882 -12 3 1 2
80.91 2.48 1.1882 12 0 2 1
82.82 1.20 1.1655 -12 1 2 2
85.37 1.93 1.1371 -13 3 1 2
85.37 4.59 1.1371 13 3 1 2
85.37 2.29 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.