Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #38b based on stacking sequence ABABACABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003052
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: 18.12305013
RIR: 0.601
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 4.06 3.2660 6 0 0 1
29.78 8.61 3.0000 0 2 0 2
29.78 4.06 3.0000 0 1 1 2
30.14 1.64 2.9654 -1 1 1 2
30.14 4.37 2.9654 1 1 1 2
31.18 2.24 2.8685 -2 1 1 2
31.18 4.87 2.8685 2 1 1 2
32.85 2.77 2.7262 -3 1 1 2
35.07 2.94 2.5584 -4 1 1 2
40.02 7.25 2.2528 -1 2 1 2
40.84 28.43 2.2094 6 2 0 2
40.84 1.77 2.2094 6 1 1 2
40.84 1.36 2.2094 -6 1 1 2
40.84 4.64 2.2094 -2 2 1 2
40.84 4.97 2.2094 2 2 1 2
42.18 14.11 2.1423 3 2 1 2
42.18 4.24 2.1423 -3 2 1 2
44.00 18.16 2.0580 4 2 1 2
44.00 1.06 2.0580 -4 2 1 2
44.25 93.83 2.0467 9 1 0 2
44.25 4.81 2.0467 7 1 1 2
44.25 1.36 2.0467 -7 1 1 2
46.25 10.04 1.9629 5 2 1 2
46.25 3.23 1.9629 -5 2 1 2
47.95 9.82 1.8974 8 1 1 2
48.89 3.23 1.8628 6 2 1 2
48.89 9.18 1.8628 -6 2 1 2
51.89 1.59 1.7621 -9 1 1 2
51.89 2.60 1.7621 9 1 1 2
51.89 1.27 1.7621 7 2 1 2
51.89 21.29 1.7621 -7 2 1 2
53.08 3.03 1.7253 -1 3 1 2
53.08 3.45 1.7253 1 3 1 2
53.08 1.73 1.7253 -1 0 2 1
53.08 1.51 1.7253 1 0 2 1
53.74 2.19 1.7056 -2 3 1 2
53.74 38.92 1.7056 2 3 1 2
53.74 19.46 1.7056 -2 0 2 1
53.74 1.09 1.7056 2 0 2 1
54.84 10.70 1.6742 3 3 1 2
54.84 5.35 1.6742 -3 0 2 1
55.20 4.12 1.6641 -8 2 1 2
55.20 1.55 1.6641 8 2 1 2
55.41 2.66 1.6581 1 1 2 2
56.06 3.49 1.6406 -10 1 1 2
56.06 1.83 1.6406 -2 1 2 2
56.06 1.73 1.6406 2 1 2 2
56.34 4.30 1.6330 12 0 0 1
56.34 4.28 1.6330 4 3 1 2
56.34 10.47 1.6330 -4 3 1 2
56.34 5.23 1.6330 4 0 2 1
56.34 2.14 1.6330 -4 0 2 1
57.12 1.63 1.6126 3 1 2 2
57.12 5.36 1.6126 -3 1 2 2
58.24 3.34 1.5842 5 3 1 2
58.24 4.23 1.5842 -5 3 1 2
58.24 1.67 1.5842 -5 0 2 1
58.24 2.12 1.5842 5 0 2 1
58.58 7.18 1.5757 -4 1 2 2
60.44 2.45 1.5317 -11 1 1 2
60.44 1.34 1.5317 5 1 2 2
60.44 4.14 1.5317 -5 1 2 2
60.50 7.28 1.5302 6 3 1 2
60.50 1.75 1.5302 -6 3 1 2
60.50 3.64 1.5302 -6 0 2 1
62.66 4.03 1.4827 6 1 2 2
62.66 1.39 1.4827 -6 1 2 2
63.12 8.52 1.4729 7 3 1 2
63.12 4.26 1.4729 -7 0 2 1
65.03 1.09 1.4343 -12 1 1 2
65.22 10.01 1.4304 7 1 2 2
66.07 1.33 1.4142 -8 3 1 2
66.07 7.86 1.4142 8 3 1 2
66.07 3.93 1.4142 -8 0 2 1
66.78 3.63 1.4009 11 2 1 2
68.12 2.02 1.3765 8 1 2 2
68.31 1.44 1.3731 -1 4 1 2
68.88 5.18 1.3631 6 4 0 2
69.33 1.81 1.3555 -9 3 1 2
69.33 3.63 1.3555 9 3 1 2
69.33 1.82 1.3555 -9 0 2 1
69.83 2.77 1.3469 3 4 1 2
71.15 1.38 1.3252 12 2 1 2
71.15 3.75 1.3252 4 4 1 2
71.33 1.00 1.3222 -7 2 2 2
72.83 2.19 1.2987 5 4 1 2
72.89 1.05 1.2978 10 3 1 2
74.12 2.36 1.2792 -8 2 2 2
74.30 2.52 1.2765 15 1 0 2
74.86 2.22 1.2684 -6 4 1 2
76.75 1.43 1.2418 -11 3 1 2
76.75 1.16 1.2418 11 3 1 2
77.23 5.79 1.2352 -7 4 1 2
78.68 2.12 1.2161 -11 1 2 2
79.95 1.20 1.2000 -8 4 1 2
80.67 1.06 1.1911 -14 2 1 2
80.67 1.06 1.1911 10 2 2 2
80.91 5.00 1.1882 12 3 1 2
80.91 1.04 1.1882 -12 3 1 2
80.91 2.50 1.1882 -12 0 2 1
85.37 8.14 1.1371 13 3 1 2
85.37 4.07 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.