Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #47a based on stacking sequence ABABCABACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003065
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: 18.80630088
RIR: 0.623
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.16 4.4188 3 1 0 2
27.31 3.91 3.2660 6 0 0 1
29.78 8.30 3.0000 0 2 0 2
29.78 3.91 3.0000 0 1 1 2
30.14 1.99 2.9654 -1 1 1 2
31.18 9.37 2.8685 -2 1 1 2
32.85 3.51 2.7262 3 1 1 2
35.07 1.53 2.5584 4 1 1 2
40.02 1.24 2.2528 -1 2 1 2
40.02 4.57 2.2528 1 2 1 2
40.84 27.40 2.2094 6 2 0 2
40.84 10.62 2.2094 -2 2 1 2
40.84 6.17 2.2094 2 2 1 2
42.18 9.63 2.1423 -3 2 1 2
44.00 12.70 2.0580 4 2 1 2
44.00 8.06 2.0580 -4 2 1 2
44.25 90.42 2.0467 9 1 0 2
44.25 6.21 2.0467 7 1 1 2
44.25 3.37 2.0467 -7 1 1 2
46.25 2.40 1.9629 5 2 1 2
46.25 3.24 1.9629 -5 2 1 2
47.95 2.17 1.8974 8 1 1 2
47.95 2.25 1.8974 -8 1 1 2
48.89 16.34 1.8628 6 2 1 2
48.89 10.60 1.8628 -6 2 1 2
51.89 5.16 1.7621 -9 1 1 2
51.89 4.19 1.7621 9 1 1 2
51.89 5.99 1.7621 7 2 1 2
51.89 4.53 1.7621 -7 2 1 2
53.08 4.15 1.7253 -1 3 1 2
53.08 7.43 1.7253 1 3 1 2
53.08 3.71 1.7253 -1 0 2 1
53.08 2.07 1.7253 1 0 2 1
53.74 18.58 1.7056 -2 3 1 2
53.74 7.32 1.7056 2 3 1 2
53.74 3.66 1.7056 -2 0 2 1
53.74 9.29 1.7056 2 0 2 1
54.84 3.50 1.6742 3 3 1 2
54.84 13.82 1.6742 -3 3 1 2
54.84 6.91 1.6742 3 0 2 1
54.84 1.75 1.6742 -3 0 2 1
55.20 6.06 1.6641 -8 2 1 2
55.20 3.25 1.6641 8 2 1 2
55.41 1.64 1.6581 -1 1 2 2
56.06 2.29 1.6406 -2 1 2 2
56.06 3.96 1.6406 2 1 2 2
56.34 4.14 1.6330 12 0 0 1
56.34 18.77 1.6330 4 3 1 2
56.34 9.39 1.6330 -4 0 2 1
57.12 3.64 1.6126 3 1 2 2
58.24 3.27 1.5842 5 3 1 2
58.24 2.56 1.5842 -5 3 1 2
58.24 1.63 1.5842 -5 0 2 1
58.24 1.28 1.5842 5 0 2 1
58.58 3.20 1.5757 4 1 2 2
58.58 5.05 1.5757 -4 1 2 2
60.44 1.32 1.5317 11 1 1 2
60.44 2.29 1.5317 -11 1 1 2
60.44 1.34 1.5317 5 1 2 2
60.50 6.21 1.5302 -6 3 1 2
60.50 3.11 1.5302 6 0 2 1
62.66 4.60 1.4827 6 1 2 2
62.66 7.14 1.4827 -6 1 2 2
62.66 1.06 1.4827 2 2 2 2
63.12 4.27 1.4729 7 3 1 2
63.12 3.18 1.4729 -7 3 1 2
63.12 1.59 1.4729 7 0 2 1
63.12 2.13 1.4729 -7 0 2 1
65.22 2.12 1.4304 7 1 2 2
65.22 2.86 1.4304 -7 1 2 2
66.07 1.44 1.4142 -8 3 1 2
66.07 1.87 1.4142 8 3 1 2
66.78 1.55 1.4009 -11 2 1 2
68.12 3.03 1.3765 8 1 2 2
68.12 1.62 1.3765 -8 1 2 2
68.88 4.99 1.3631 6 4 0 2
68.88 2.10 1.3631 -2 4 1 2
68.88 1.20 1.3631 2 4 1 2
69.33 6.89 1.3555 -9 3 1 2
69.33 5.14 1.3555 9 3 1 2
69.33 2.57 1.3555 -9 0 2 1
69.33 3.45 1.3555 9 0 2 1
69.83 1.87 1.3469 -3 4 1 2
71.15 1.94 1.3252 -12 2 1 2
71.15 2.66 1.3252 4 4 1 2
71.15 1.68 1.3252 -4 4 1 2
71.33 1.33 1.3222 -7 2 2 2
72.89 2.61 1.2978 10 3 1 2
72.89 1.31 1.2978 -10 0 2 1
74.30 2.43 1.2765 15 1 0 2
74.86 3.91 1.2684 6 4 1 2
74.86 2.49 1.2684 -6 4 1 2
75.77 1.41 1.2554 13 2 1 2
76.75 1.13 1.2418 11 3 1 2
77.23 1.68 1.2352 7 4 1 2
77.23 1.23 1.2352 -7 4 1 2
77.23 1.36 1.2352 9 2 2 2
77.23 1.10 1.2352 -9 2 2 2
79.95 1.83 1.2000 -8 4 1 2
80.91 4.01 1.1882 -12 3 1 2
80.91 2.00 1.1882 12 0 2 1
82.82 1.17 1.1655 12 1 2 2
85.37 3.17 1.1371 -13 3 1 2
85.37 4.46 1.1371 13 3 1 2
85.37 2.23 1.1371 -13 0 2 1
85.37 1.58 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.