Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34b based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003045
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: 18.45997344
RIR: 0.612
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.18 4.4188 3 1 0 2
27.31 3.98 3.2660 6 0 0 1
29.78 8.45 3.0000 0 2 0 2
29.78 3.98 3.0000 0 1 1 2
30.14 10.36 2.9654 -1 1 1 2
30.14 1.26 2.9654 1 1 1 2
31.18 3.95 2.8685 -2 1 1 2
31.18 2.20 2.8685 2 1 1 2
32.85 2.80 2.7262 3 1 1 2
32.85 2.80 2.7262 -3 1 1 2
35.07 1.24 2.5584 4 1 1 2
40.02 3.33 2.2528 1 2 1 2
40.84 27.91 2.2094 6 2 0 2
40.84 3.25 2.2094 6 1 1 2
40.84 2.45 2.2094 -6 1 1 2
40.84 4.21 2.2094 -2 2 1 2
40.84 5.25 2.2094 2 2 1 2
42.18 24.76 2.1423 3 2 1 2
42.18 5.38 2.1423 -3 2 1 2
44.00 21.51 2.0580 4 2 1 2
44.00 10.45 2.0580 -4 2 1 2
44.25 92.12 2.0467 9 1 0 2
44.25 6.29 2.0467 7 1 1 2
44.25 1.60 2.0467 -7 1 1 2
46.25 3.18 1.9629 5 2 1 2
46.25 2.51 1.9629 -5 2 1 2
47.95 3.01 1.8974 -8 1 1 2
48.89 6.84 1.8628 6 2 1 2
48.89 6.84 1.8628 -6 2 1 2
51.89 2.12 1.7621 -9 1 1 2
51.89 2.12 1.7621 9 1 1 2
51.89 7.05 1.7621 7 2 1 2
51.89 1.25 1.7621 -7 2 1 2
53.08 2.65 1.7253 -1 3 1 2
53.08 3.76 1.7253 1 3 1 2
53.08 1.88 1.7253 -1 0 2 1
53.08 1.33 1.7253 1 0 2 1
53.74 15.85 1.7056 -2 3 1 2
53.74 2.15 1.7056 2 3 1 2
53.74 1.07 1.7056 -2 0 2 1
53.74 7.92 1.7056 2 0 2 1
54.84 10.42 1.6742 3 3 1 2
54.84 10.42 1.6742 -3 3 1 2
54.84 5.21 1.6742 3 0 2 1
54.84 5.21 1.6742 -3 0 2 1
55.20 5.38 1.6641 -8 2 1 2
55.20 1.36 1.6641 8 2 1 2
55.41 1.21 1.6581 -1 1 2 2
56.06 1.91 1.6406 -2 1 2 2
56.06 1.60 1.6406 2 1 2 2
56.34 4.22 1.6330 12 0 0 1
56.34 8.17 1.6330 4 3 1 2
56.34 4.20 1.6330 -4 3 1 2
56.34 2.10 1.6330 4 0 2 1
56.34 4.08 1.6330 -4 0 2 1
57.12 2.10 1.6126 3 1 2 2
57.12 9.42 1.6126 -3 1 2 2
58.24 12.15 1.5842 5 3 1 2
58.24 6.07 1.5842 -5 0 2 1
58.58 4.11 1.5757 4 1 2 2
58.58 8.52 1.5757 -4 1 2 2
60.44 1.06 1.5317 11 1 1 2
60.44 3.08 1.5317 -11 1 1 2
60.44 1.04 1.5317 5 1 2 2
60.44 1.32 1.5317 -5 1 2 2
60.50 11.09 1.5302 6 3 1 2
60.50 5.55 1.5302 -6 0 2 1
62.06 1.08 1.4956 1 2 2 2
62.66 3.00 1.4827 6 1 2 2
62.66 3.00 1.4827 -6 1 2 2
63.12 9.34 1.4729 7 3 1 2
63.12 6.42 1.4729 -7 3 1 2
63.12 3.21 1.4729 7 0 2 1
63.12 4.67 1.4729 -7 0 2 1
65.03 1.96 1.4343 -12 1 1 2
65.22 3.33 1.4304 -7 1 2 2
66.07 1.99 1.4142 -8 3 1 2
66.07 1.30 1.4142 8 3 1 2
66.78 1.41 1.4009 -11 2 1 2
68.12 2.64 1.3765 8 1 2 2
68.88 5.08 1.3631 6 4 0 2
69.33 2.82 1.3555 -9 3 1 2
69.33 2.82 1.3555 9 3 1 2
69.33 1.41 1.3555 -9 0 2 1
69.33 1.41 1.3555 9 0 2 1
69.83 1.14 1.3469 -3 4 1 2
69.83 4.88 1.3469 3 4 1 2
71.15 1.15 1.3252 12 2 1 2
71.15 1.15 1.3252 -12 2 1 2
71.15 4.46 1.3252 4 4 1 2
71.15 2.13 1.3252 -4 4 1 2
71.33 1.31 1.3222 -7 2 2 2
72.89 1.03 1.2978 -10 3 1 2
74.30 2.48 1.2765 15 1 0 2
74.86 1.65 1.2684 6 4 1 2
74.86 1.65 1.2684 -6 4 1 2
76.75 4.13 1.2418 11 3 1 2
76.75 2.07 1.2418 -11 0 2 1
77.23 1.94 1.2352 7 4 1 2
79.95 1.56 1.2000 -8 4 1 2
80.67 1.50 1.1911 14 2 1 2
80.91 8.08 1.1882 12 3 1 2
80.91 4.04 1.1882 -12 0 2 1
84.42 1.06 1.1474 11 2 2 2
85.37 5.74 1.1371 -13 3 1 2
85.37 9.11 1.1371 13 3 1 2
85.37 4.56 1.1371 -13 0 2 1
85.37 2.87 1.1371 13 0 2 1
85.85 1.24 1.1320 -15 2 1 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.