Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #36 based on stacking sequence ABABACABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003048
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: 17.20131934
RIR: 0.570
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.26 4.4188 3 1 0 2
27.31 4.27 3.2660 6 0 0 1
29.78 9.07 3.0000 0 2 0 2
29.78 12.82 3.0000 0 1 1 2
30.14 3.71 2.9654 -1 1 1 2
30.14 3.71 2.9654 1 1 1 2
31.18 7.09 2.8685 -2 1 1 2
31.18 7.09 2.8685 2 1 1 2
32.85 1.00 2.7262 3 1 1 2
32.85 1.00 2.7262 -3 1 1 2
40.02 1.71 2.2528 -1 2 1 2
40.02 1.71 2.2528 1 2 1 2
40.84 29.95 2.2094 6 2 0 2
40.84 6.37 2.2094 6 1 1 2
40.84 6.37 2.2094 -6 1 1 2
40.84 1.88 2.2094 -2 2 1 2
40.84 1.88 2.2094 2 2 1 2
42.18 35.51 2.1423 3 2 1 2
42.18 35.51 2.1423 -3 2 1 2
44.00 3.74 2.0580 4 2 1 2
44.00 3.74 2.0580 -4 2 1 2
44.25 98.86 2.0467 9 1 0 2
46.25 10.22 1.9629 5 2 1 2
46.25 10.22 1.9629 -5 2 1 2
47.95 2.29 1.8974 8 1 1 2
47.95 2.29 1.8974 -8 1 1 2
48.89 2.45 1.8628 6 2 1 2
48.89 2.45 1.8628 -6 2 1 2
51.89 4.01 1.7621 7 2 1 2
51.89 4.01 1.7621 -7 2 1 2
52.86 1.18 1.7321 0 3 1 2
53.74 6.91 1.7056 -2 3 1 2
53.74 6.91 1.7056 2 3 1 2
53.74 3.46 1.7056 -2 0 2 1
53.74 3.46 1.7056 2 0 2 1
54.84 3.73 1.6742 3 3 1 2
54.84 3.73 1.6742 -3 3 1 2
54.84 1.86 1.6742 3 0 2 1
54.84 1.86 1.6742 -3 0 2 1
56.06 1.80 1.6406 10 1 1 2
56.06 1.80 1.6406 -10 1 1 2
56.34 4.53 1.6330 12 0 0 1
56.34 13.52 1.6330 4 3 1 2
56.34 13.52 1.6330 -4 3 1 2
56.34 6.76 1.6330 4 0 2 1
56.34 6.76 1.6330 -4 0 2 1
57.12 13.54 1.6126 3 1 2 2
57.12 13.54 1.6126 -3 1 2 2
58.24 4.34 1.5842 5 3 1 2
58.24 4.34 1.5842 -5 3 1 2
58.24 2.17 1.5842 -5 0 2 1
58.24 2.17 1.5842 5 0 2 1
58.58 1.47 1.5757 4 1 2 2
58.58 1.47 1.5757 -4 1 2 2
58.79 1.76 1.5706 -9 2 1 2
58.79 1.76 1.5706 9 2 1 2
60.44 4.24 1.5317 5 1 2 2
60.44 4.24 1.5317 -5 1 2 2
60.50 15.59 1.5302 6 3 1 2
60.50 15.59 1.5302 -6 3 1 2
60.50 7.80 1.5302 6 0 2 1
60.50 7.80 1.5302 -6 0 2 1
61.85 1.31 1.5000 0 2 2 2
62.66 1.07 1.4827 6 1 2 2
62.66 1.07 1.4827 -6 1 2 2
63.12 2.30 1.4729 7 3 1 2
63.12 2.30 1.4729 -7 3 1 2
63.12 1.15 1.4729 7 0 2 1
63.12 1.15 1.4729 -7 0 2 1
65.03 3.13 1.4343 12 1 1 2
65.03 3.13 1.4343 -12 1 1 2
65.22 1.86 1.4304 7 1 2 2
65.22 1.86 1.4304 -7 1 2 2
66.07 4.20 1.4142 -8 3 1 2
66.07 4.20 1.4142 8 3 1 2
66.07 2.10 1.4142 8 0 2 1
66.07 2.10 1.4142 -8 0 2 1
68.88 5.45 1.3631 6 4 0 2
68.88 1.21 1.3631 6 2 2 2
68.88 1.21 1.3631 -6 2 2 2
69.33 1.01 1.3555 -9 3 1 2
69.33 1.01 1.3555 9 3 1 2
69.83 7.06 1.3469 -3 4 1 2
69.83 7.06 1.3469 3 4 1 2
72.83 2.25 1.2987 5 4 1 2
72.83 2.25 1.2987 -5 4 1 2
72.89 3.33 1.2978 10 3 1 2
72.89 3.33 1.2978 -10 3 1 2
72.89 1.66 1.2978 10 0 2 1
72.89 1.66 1.2978 -10 0 2 1
74.30 2.66 1.2765 15 1 0 2
75.77 1.60 1.2554 -13 2 1 2
75.77 1.60 1.2554 13 2 1 2
76.75 1.48 1.2418 -11 3 1 2
76.75 1.48 1.2418 11 3 1 2
77.23 1.06 1.2352 7 4 1 2
77.23 1.06 1.2352 -7 4 1 2
80.91 10.87 1.1882 12 3 1 2
80.91 10.87 1.1882 -12 3 1 2
80.91 5.44 1.1882 -12 0 2 1
80.91 5.44 1.1882 12 0 2 1
85.37 2.05 1.1371 -13 3 1 2
85.37 2.05 1.1371 13 3 1 2
85.37 1.03 1.1371 -13 0 2 1
85.37 1.03 1.1371 13 0 2 1
85.85 1.81 1.1320 15 2 1 2
85.85 1.81 1.1320 -15 2 1 2
87.27 1.05 1.1172 13 1 2 2
87.27 1.05 1.1172 -13 1 2 2
88.51 1.27 1.1047 12 2 2 2
88.51 1.27 1.1047 -12 2 2 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.