Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #12b based on stacking sequence ABABABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003012
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: 17.53824670
RIR: 0.581
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.24 4.4188 3 1 0 4
27.31 4.19 3.2660 6 0 0 2
29.78 8.90 3.0000 0 2 0 2
29.78 12.58 3.0000 0 1 1 4
30.14 12.85 2.9654 -1 1 1 4
31.18 1.06 2.8685 -2 1 1 4
31.18 3.87 2.8685 2 1 1 4
32.85 3.93 2.7262 3 1 1 4
32.85 1.07 2.7262 -3 1 1 4
40.02 2.17 2.2528 -1 2 1 4
40.84 29.38 2.2094 6 2 0 4
40.84 6.84 2.2094 6 1 1 4
40.84 4.72 2.2094 -6 1 1 4
40.84 1.48 2.2094 -2 2 1 4
40.84 2.23 2.2094 2 2 1 4
42.18 58.19 2.1423 3 2 1 4
42.18 7.20 2.1423 -3 2 1 4
44.00 7.55 2.0580 4 2 1 4
44.00 13.57 2.0580 -4 2 1 4
44.25 96.96 2.0467 9 1 0 4
44.25 2.21 2.0467 7 1 1 4
46.25 9.20 1.9629 -5 2 1 4
47.95 2.99 1.8974 -8 1 1 4
48.89 6.26 1.8628 6 2 1 4
51.89 1.33 1.7621 -9 1 1 4
51.89 4.93 1.7621 7 2 1 4
51.89 2.55 1.7621 -7 2 1 4
52.86 1.16 1.7321 0 3 1 4
53.08 1.32 1.7253 1 3 1 4
53.74 3.53 1.7056 -2 3 1 4
53.74 8.83 1.7056 2 3 1 4
53.74 4.42 1.7056 -2 0 2 2
53.74 1.77 1.7056 2 0 2 2
54.84 3.56 1.6742 3 3 1 4
54.84 14.62 1.6742 -3 3 1 4
54.84 7.31 1.6742 3 0 2 2
54.84 1.78 1.6742 -3 0 2 2
55.20 1.89 1.6641 -8 2 1 4
56.06 2.02 1.6406 10 1 1 4
56.34 4.44 1.6330 12 0 0 2
56.34 1.72 1.6330 4 3 1 4
56.34 7.86 1.6330 -4 3 1 4
56.34 3.93 1.6330 4 0 2 2
57.12 2.84 1.6126 3 1 2 4
57.12 22.10 1.6126 -3 1 2 4
58.24 13.60 1.5842 5 3 1 4
58.24 6.80 1.5842 -5 0 2 2
58.58 5.33 1.5757 4 1 2 4
58.58 2.99 1.5757 -4 1 2 4
58.79 1.45 1.5706 -9 2 1 4
58.79 1.74 1.5706 9 2 1 4
60.44 1.16 1.5317 11 1 1 4
60.44 1.08 1.5317 -11 1 1 4
60.44 3.81 1.5317 5 1 2 4
60.50 29.15 1.5302 6 3 1 4
60.50 14.57 1.5302 -6 0 2 2
61.85 1.29 1.5000 0 2 2 4
62.06 1.34 1.4956 1 2 2 4
62.66 2.77 1.4827 -6 1 2 4
63.12 3.28 1.4729 7 3 1 4
63.12 8.87 1.4729 -7 3 1 4
63.12 4.43 1.4729 7 0 2 2
63.12 1.64 1.4729 -7 0 2 2
65.03 1.30 1.4343 12 1 1 4
65.03 4.41 1.4343 -12 1 1 4
65.22 1.23 1.4304 7 1 2 4
65.22 2.27 1.4304 -7 1 2 4
66.07 4.66 1.4142 -8 3 1 4
66.07 2.33 1.4142 8 0 2 2
68.88 5.35 1.3631 6 4 0 4
68.88 1.24 1.3631 -6 2 2 4
69.33 2.10 1.3555 -9 3 1 4
69.33 1.05 1.3555 9 0 2 2
69.83 1.57 1.3469 -3 4 1 4
69.83 11.41 1.3469 3 4 1 4
71.15 1.56 1.3252 -12 2 1 4
71.15 1.56 1.3252 4 4 1 4
71.15 2.75 1.3252 -4 4 1 4
71.33 1.01 1.3222 -9 1 2 4
72.83 2.02 1.2987 -5 4 1 4
72.89 1.34 1.2978 10 3 1 4
74.30 2.61 1.2765 15 1 0 4
74.86 1.54 1.2684 6 4 1 4
76.75 4.60 1.2418 11 3 1 4
76.75 2.30 1.2418 -11 0 2 2
77.23 1.28 1.2352 7 4 1 4
80.67 2.06 1.1911 14 2 1 4
80.91 20.44 1.1882 12 3 1 4
80.91 10.22 1.1882 -12 0 2 2
85.37 7.86 1.1371 -13 3 1 4
85.37 3.20 1.1371 13 3 1 4
85.37 1.60 1.1371 -13 0 2 2
85.37 3.93 1.1371 13 0 2 2
85.85 3.32 1.1320 -15 2 1 4
88.51 1.74 1.1047 12 2 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.