Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #22b based on stacking sequence ABACBACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003029
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 17.77792384
RIR: 0.589
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.22 4.4188 3 1 0 4
27.31 4.13 3.2660 6 0 0 2
29.78 8.78 3.0000 0 2 0 2
31.18 8.30 2.8685 -2 1 1 4
31.18 1.05 2.8685 2 1 1 4
35.07 4.65 2.5584 4 1 1 4
40.02 11.88 2.2528 1 2 1 4
40.84 28.98 2.2094 6 2 0 4
40.84 1.46 2.2094 -2 2 1 4
40.84 1.46 2.2094 2 2 1 4
42.18 4.20 2.1423 3 2 1 4
42.18 4.20 2.1423 -3 2 1 4
44.00 7.45 2.0580 4 2 1 4
44.00 7.45 2.0580 -4 2 1 4
44.25 95.65 2.0467 9 1 0 4
44.25 2.18 2.0467 7 1 1 4
44.25 2.18 2.0467 -7 1 1 4
46.25 9.07 1.9629 5 2 1 4
46.25 6.30 1.9629 -5 2 1 4
47.95 2.95 1.8974 8 1 1 4
47.95 12.48 1.8974 -8 1 1 4
48.89 7.92 1.8628 6 2 1 4
48.89 7.92 1.8628 -6 2 1 4
51.89 2.81 1.7621 -9 1 1 4
51.89 2.81 1.7621 9 1 1 4
51.89 28.95 1.7621 7 2 1 4
51.89 4.87 1.7621 -7 2 1 4
53.08 1.30 1.7253 -1 3 1 4
53.08 1.30 1.7253 1 3 1 4
53.74 60.39 1.7056 -2 3 1 4
53.74 3.49 1.7056 2 3 1 4
53.74 1.74 1.7056 -2 0 2 2
53.74 30.19 1.7056 2 0 2 2
54.84 3.70 1.6742 3 3 1 4
54.84 3.70 1.6742 -3 3 1 4
54.84 1.85 1.6742 3 0 2 2
54.84 1.85 1.6742 -3 0 2 2
55.20 1.86 1.6641 -8 2 1 4
55.20 1.86 1.6641 8 2 1 4
55.41 4.34 1.6581 -1 1 2 4
56.06 3.36 1.6406 10 1 1 4
56.06 1.99 1.6406 -10 1 1 4
56.34 4.38 1.6330 12 0 0 2
56.34 18.18 1.6330 4 3 1 4
56.34 1.70 1.6330 -4 3 1 4
56.34 9.09 1.6330 -4 0 2 2
57.12 1.61 1.6126 3 1 2 4
57.12 1.61 1.6126 -3 1 2 4
58.58 2.95 1.5757 4 1 2 4
58.58 2.95 1.5757 -4 1 2 4
60.44 1.06 1.5317 11 1 1 4
60.44 1.06 1.5317 -11 1 1 4
60.44 2.59 1.5317 5 1 2 4
60.44 3.75 1.5317 -5 1 2 4
62.66 3.45 1.4827 6 1 2 4
62.66 3.45 1.4827 -6 1 2 4
63.12 3.23 1.4729 7 3 1 4
63.12 3.23 1.4729 -7 3 1 4
63.12 1.62 1.4729 7 0 2 2
63.12 1.62 1.4729 -7 0 2 2
65.22 2.24 1.4304 7 1 2 4
65.22 13.67 1.4304 -7 1 2 4
66.07 7.46 1.4142 -8 3 1 4
66.07 4.60 1.4142 8 3 1 4
66.07 3.73 1.4142 8 0 2 2
66.07 2.30 1.4142 -8 0 2 2
66.78 5.49 1.4009 -11 2 1 4
68.31 2.32 1.3731 1 4 1 4
68.88 5.28 1.3631 6 4 0 4
69.33 3.59 1.3555 -9 3 1 4
69.33 3.59 1.3555 9 3 1 4
69.33 1.79 1.3555 -9 0 2 2
69.33 1.79 1.3555 9 0 2 2
71.15 1.54 1.3252 4 4 1 4
71.15 1.54 1.3252 -4 4 1 4
72.83 1.99 1.2987 5 4 1 4
72.83 1.36 1.2987 -5 4 1 4
72.89 1.32 1.2978 -10 3 1 4
74.12 3.02 1.2792 8 2 2 4
74.30 2.57 1.2765 15 1 0 4
74.86 1.88 1.2684 6 4 1 4
74.86 1.88 1.2684 -6 4 1 4
77.23 7.95 1.2352 7 4 1 4
77.23 1.27 1.2352 -7 4 1 4
78.68 3.23 1.2161 11 1 2 4
80.67 1.02 1.1911 -10 2 2 4
85.37 3.15 1.1371 -13 3 1 4
85.37 3.15 1.1371 13 3 1 4
85.37 1.58 1.1371 -13 0 2 2
85.37 1.58 1.1371 13 0 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.