Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #30 based on stacking sequence ABABABACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003038
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: 18.90474174
RIR: 0.627
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.15 4.4188 3 1 0 2
27.31 3.89 3.2660 6 0 0 1
29.78 8.25 3.0000 0 2 0 2
29.78 11.67 3.0000 0 1 1 2
30.14 1.23 2.9654 -1 1 1 2
30.14 4.72 2.9654 1 1 1 2
31.18 3.59 2.8685 -2 1 1 2
32.85 2.74 2.7262 3 1 1 2
32.85 2.74 2.7262 -3 1 1 2
40.02 2.01 2.2528 1 2 1 2
40.84 27.26 2.2094 6 2 0 2
40.84 1.14 2.2094 6 1 1 2
40.84 1.93 2.2094 -6 1 1 2
40.84 14.30 2.2094 -2 2 1 2
40.84 4.11 2.2094 2 2 1 2
42.18 3.12 2.1423 3 2 1 2
42.18 22.04 2.1423 -3 2 1 2
44.00 3.04 2.0580 4 2 1 2
44.00 21.01 2.0580 -4 2 1 2
44.25 89.95 2.0467 9 1 0 2
44.25 3.91 2.0467 7 1 1 2
44.25 6.14 2.0467 -7 1 1 2
46.25 8.53 1.9629 5 2 1 2
47.95 2.78 1.8974 8 1 1 2
48.89 6.68 1.8628 6 2 1 2
48.89 6.68 1.8628 -6 2 1 2
51.89 2.07 1.7621 -9 1 1 2
51.89 2.07 1.7621 9 1 1 2
51.89 2.37 1.7621 7 2 1 2
51.89 4.58 1.7621 -7 2 1 2
52.86 1.07 1.7321 0 3 1 2
53.08 3.67 1.7253 -1 3 1 2
53.08 8.71 1.7253 1 3 1 2
53.08 4.36 1.7253 -1 0 2 1
53.08 1.83 1.7253 1 0 2 1
53.74 8.20 1.7056 -2 3 1 2
53.74 3.28 1.7056 2 3 1 2
53.74 1.64 1.7056 -2 0 2 1
53.74 4.10 1.7056 2 0 2 1
54.84 10.17 1.6742 3 3 1 2
54.84 10.17 1.6742 -3 3 1 2
54.84 5.09 1.6742 3 0 2 1
54.84 5.09 1.6742 -3 0 2 1
55.20 4.45 1.6641 -8 2 1 2
55.20 5.25 1.6641 8 2 1 2
56.06 1.87 1.6406 -10 1 1 2
56.06 1.56 1.6406 -2 1 2 2
56.06 5.27 1.6406 2 1 2 2
56.34 4.12 1.6330 12 0 0 1
56.34 7.29 1.6330 4 3 1 2
56.34 1.60 1.6330 -4 3 1 2
56.34 3.64 1.6330 -4 0 2 1
57.12 8.33 1.6126 3 1 2 2
57.12 1.18 1.6126 -3 1 2 2
58.24 9.60 1.5842 -5 3 1 2
58.24 4.80 1.5842 5 0 2 1
58.58 8.32 1.5757 4 1 2 2
58.58 1.23 1.5757 -4 1 2 2
60.44 3.00 1.5317 11 1 1 2
60.44 3.53 1.5317 -5 1 2 2
60.50 4.89 1.5302 6 3 1 2
60.50 15.50 1.5302 -6 3 1 2
60.50 7.75 1.5302 6 0 2 1
60.50 2.45 1.5302 -6 0 2 1
61.85 1.19 1.5000 0 2 2 2
62.66 2.93 1.4827 6 1 2 2
62.66 2.93 1.4827 -6 1 2 2
63.12 9.12 1.4729 -7 3 1 2
63.12 4.56 1.4729 7 0 2 1
65.03 1.47 1.4343 12 1 1 2
65.22 2.11 1.4304 7 1 2 2
65.22 1.14 1.4304 -7 1 2 2
66.07 4.33 1.4142 8 3 1 2
66.07 2.16 1.4142 -8 0 2 1
68.12 2.27 1.3765 8 1 2 2
68.12 2.58 1.3765 -8 1 2 2
68.88 4.96 1.3631 6 4 0 2
68.88 2.73 1.3631 -2 4 1 2
69.33 2.76 1.3555 -9 3 1 2
69.33 2.76 1.3555 9 3 1 2
69.33 1.38 1.3555 -9 0 2 1
69.33 1.38 1.3555 9 0 2 1
69.83 4.27 1.3469 -3 4 1 2
71.15 1.12 1.3252 12 2 1 2
71.15 1.12 1.3252 -12 2 1 2
71.15 4.35 1.3252 -4 4 1 2
71.33 1.28 1.3222 7 2 2 2
72.83 1.87 1.2987 5 4 1 2
72.89 1.24 1.2978 -10 3 1 2
74.30 2.42 1.2765 15 1 0 2
74.86 1.61 1.2684 6 4 1 2
74.86 1.61 1.2684 -6 4 1 2
76.75 3.34 1.2418 -11 3 1 2
76.75 1.67 1.2418 11 0 2 1
77.23 1.19 1.2352 -7 4 1 2
79.95 1.40 1.2000 -8 4 1 2
79.95 1.53 1.2000 8 4 1 2
80.91 2.08 1.1882 12 3 1 2
80.91 9.66 1.1882 -12 3 1 2
80.91 1.04 1.1882 -12 0 2 1
80.91 4.83 1.1882 12 0 2 1
84.42 1.04 1.1474 -11 2 2 2
85.37 8.90 1.1371 -13 3 1 2
85.37 4.45 1.1371 13 0 2 1
85.85 1.86 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.