Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #21a based on stacking sequence ABABCACBCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003026
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2_1cn
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 18.18809573
RIR: 0.603
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.20 4.4188 3 1 0 2
27.31 4.04 3.2660 6 0 0 1
29.78 8.58 3.0000 0 2 0 2
30.14 13.56 2.9654 1 1 1 4
31.18 13.42 2.8685 2 1 1 4
32.85 1.74 2.7262 3 1 1 4
35.07 1.06 2.5584 4 1 1 4
40.02 3.23 2.2528 1 2 1 4
40.84 28.33 2.2094 6 2 0 2
40.84 5.31 2.2094 6 1 1 4
40.84 23.37 2.2094 2 2 1 4
42.18 24.61 2.1423 3 2 1 4
44.00 11.29 2.0580 4 2 1 4
44.25 93.49 2.0467 9 1 0 2
44.25 6.51 2.0467 7 1 1 4
46.25 19.34 1.9629 5 2 1 4
47.95 4.33 1.8974 8 1 1 4
48.89 15.48 1.8628 6 2 1 4
51.89 5.48 1.7621 9 1 1 4
51.89 7.59 1.7621 7 2 1 4
53.08 13.87 1.7253 1 3 1 4
53.08 6.93 1.7253 1 0 2 2
53.74 13.08 1.7056 2 3 1 4
53.74 6.54 1.7056 2 0 2 2
54.84 7.24 1.6742 3 3 1 4
54.84 3.62 1.6742 3 0 2 2
55.20 7.09 1.6641 8 2 1 4
55.41 1.15 1.6581 1 1 2 4
56.06 3.40 1.6406 10 1 1 4
56.06 8.59 1.6406 2 1 2 4
56.34 4.28 1.6330 12 0 0 1
56.34 25.57 1.6330 4 3 1 4
56.34 12.79 1.6330 4 0 2 2
57.12 9.44 1.6126 3 1 2 4
58.24 21.52 1.5842 5 3 1 4
58.24 10.76 1.5842 5 0 2 2
58.58 4.48 1.5757 4 1 2 4
58.79 1.48 1.5706 9 2 1 4
60.44 2.01 1.5317 11 1 1 4
60.44 8.01 1.5317 5 1 2 4
60.50 4.98 1.5302 6 3 1 4
60.50 2.49 1.5302 6 0 2 2
62.06 1.43 1.4956 1 2 2 4
62.66 6.74 1.4827 6 1 2 4
62.66 1.50 1.4827 2 2 2 4
63.12 4.87 1.4729 7 3 1 4
63.12 2.44 1.4729 7 0 2 2
65.03 2.43 1.4343 12 1 1 4
65.22 3.53 1.4304 7 1 2 4
66.07 7.93 1.4142 8 3 1 4
66.07 3.97 1.4142 8 0 2 2
66.78 1.15 1.4009 11 2 1 4
68.12 3.60 1.3765 8 1 2 4
68.88 5.16 1.3631 6 4 0 2
68.88 4.42 1.3631 2 4 1 4
68.88 1.01 1.3631 6 2 2 4
69.33 7.02 1.3555 9 3 1 4
69.33 3.51 1.3555 9 0 2 2
69.83 4.97 1.3469 3 4 1 4
71.15 1.28 1.3252 12 2 1 4
71.15 2.35 1.3252 4 4 1 4
71.33 1.41 1.3222 7 2 2 4
72.83 4.26 1.2987 5 4 1 4
72.89 6.29 1.2978 10 3 1 4
72.89 3.14 1.2978 10 0 2 2
74.12 1.01 1.2792 8 2 2 4
74.30 2.51 1.2765 15 1 0 2
74.86 3.67 1.2684 6 4 1 4
75.77 3.03 1.2554 13 2 1 4
76.75 7.42 1.2418 11 3 1 4
76.75 3.71 1.2418 11 0 2 2
77.23 2.01 1.2352 7 4 1 4
77.23 1.44 1.2352 9 2 2 4
79.95 2.22 1.2000 8 4 1 4
80.67 1.18 1.1911 14 2 1 4
80.67 1.01 1.1911 10 2 2 4
80.91 5.01 1.1882 12 3 1 4
80.91 2.51 1.1882 12 0 2 2
85.37 4.65 1.1371 13 3 1 4
85.37 2.33 1.1371 13 0 2 2
87.27 1.99 1.1172 13 1 2 4
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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.