Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #19a based on stacking sequence ABABCABCBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003022
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: 19.34831771
RIR: 0.641
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.12 4.4188 3 1 0 4
27.31 3.80 3.2660 6 0 0 2
29.78 8.06 3.0000 0 2 0 2
30.14 11.65 2.9654 -1 1 1 4
30.14 2.30 2.9654 1 1 1 4
31.18 8.14 2.8685 -2 1 1 4
31.18 3.50 2.8685 2 1 1 4
40.02 1.97 2.2528 -1 2 1 4
40.84 26.63 2.2094 6 2 0 4
40.84 23.96 2.2094 -2 2 1 4
40.84 2.02 2.2094 2 2 1 4
42.18 3.86 2.1423 3 2 1 4
42.18 3.86 2.1423 -3 2 1 4
44.00 18.83 2.0580 4 2 1 4
44.00 12.30 2.0580 -4 2 1 4
44.25 87.89 2.0467 9 1 0 4
44.25 11.35 2.0467 7 1 1 4
46.25 9.78 1.9629 -5 2 1 4
48.89 7.28 1.8628 6 2 1 4
48.89 7.28 1.8628 -6 2 1 4
51.89 2.58 1.7621 -9 1 1 4
51.89 2.58 1.7621 9 1 1 4
51.89 2.32 1.7621 -7 2 1 4
53.08 16.09 1.7253 1 3 1 4
53.08 8.04 1.7253 -1 0 2 2
53.74 1.08 1.7056 -2 3 1 4
53.74 8.01 1.7056 2 3 1 4
53.74 4.00 1.7056 -2 0 2 2
54.84 3.40 1.6742 3 3 1 4
54.84 3.40 1.6742 -3 3 1 4
54.84 1.70 1.6742 3 0 2 2
54.84 1.70 1.6742 -3 0 2 2
55.20 11.52 1.6641 -8 2 1 4
56.06 1.32 1.6406 10 1 1 4
56.06 8.90 1.6406 2 1 2 4
56.34 4.02 1.6330 12 0 0 2
56.34 15.35 1.6330 4 3 1 4
56.34 7.12 1.6330 -4 3 1 4
56.34 3.56 1.6330 4 0 2 2
56.34 7.68 1.6330 -4 0 2 2
57.12 1.48 1.6126 3 1 2 4
57.12 1.48 1.6126 -3 1 2 4
58.24 12.32 1.5842 5 3 1 4
58.24 8.06 1.5842 -5 3 1 4
58.24 6.16 1.5842 -5 0 2 2
58.24 4.03 1.5842 5 0 2 2
58.58 4.83 1.5757 4 1 2 4
58.58 7.51 1.5757 -4 1 2 4
60.44 1.05 1.5317 11 1 1 4
60.44 3.77 1.5317 -11 1 1 4
60.44 4.06 1.5317 5 1 2 4
62.06 1.21 1.4956 1 2 2 4
62.66 3.17 1.4827 6 1 2 4
62.66 3.17 1.4827 -6 1 2 4
63.12 5.45 1.4729 7 3 1 4
63.12 8.04 1.4729 -7 3 1 4
63.12 4.02 1.4729 7 0 2 2
63.12 2.72 1.4729 -7 0 2 2
65.22 1.11 1.4304 7 1 2 4
66.07 3.15 1.4142 -8 3 1 4
66.07 1.58 1.4142 8 0 2 2
68.12 5.78 1.3765 8 1 2 4
68.88 4.85 1.3631 6 4 0 4
68.88 4.68 1.3631 -2 4 1 4
69.33 3.30 1.3555 -9 3 1 4
69.33 3.30 1.3555 9 3 1 4
69.33 1.65 1.3555 -9 0 2 2
69.33 1.65 1.3555 9 0 2 2
69.83 1.15 1.3469 13 1 1 4
71.15 3.98 1.3252 4 4 1 4
71.15 2.49 1.3252 -4 4 1 4
71.33 2.44 1.3222 -7 2 2 4
72.83 2.16 1.2987 -5 4 1 4
72.89 3.93 1.2978 10 3 1 4
72.89 1.96 1.2978 -10 0 2 2
74.30 2.36 1.2765 15 1 0 4
74.86 1.73 1.2684 6 4 1 4
74.86 1.73 1.2684 -6 4 1 4
75.77 1.90 1.2554 13 2 1 4
76.75 2.85 1.2418 -11 3 1 4
76.75 4.17 1.2418 11 3 1 4
76.75 1.42 1.2418 11 0 2 2
76.75 2.08 1.2418 -11 0 2 2
79.95 3.52 1.2000 -8 4 1 4
80.67 1.86 1.1911 14 2 1 4
84.42 1.34 1.1474 11 2 2 4
85.37 7.12 1.1371 -13 3 1 4
85.37 5.95 1.1371 13 3 1 4
85.37 2.97 1.1371 -13 0 2 2
85.37 3.56 1.1371 13 0 2 2
87.27 1.25 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.