Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32a based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003040
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: 18.81331964
RIR: 0.624
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.16 4.4188 3 1 0 2
27.31 3.91 3.2660 6 0 0 1
29.78 8.29 3.0000 0 2 0 2
29.78 3.91 3.0000 0 1 1 2
30.14 11.98 2.9654 -1 1 1 2
30.14 3.76 2.9654 1 1 1 2
31.18 2.16 2.8685 -2 1 1 2
31.18 1.26 2.8685 2 1 1 2
32.85 3.66 2.7262 -3 1 1 2
40.02 1.49 2.2528 -1 2 1 2
40.84 27.39 2.2094 6 2 0 2
40.84 1.31 2.2094 6 1 1 2
40.84 1.71 2.2094 -6 1 1 2
40.84 20.19 2.2094 -2 2 1 2
40.84 2.08 2.2094 2 2 1 2
42.18 4.09 2.1423 3 2 1 2
42.18 13.59 2.1423 -3 2 1 2
44.00 14.73 2.0580 4 2 1 2
44.00 12.65 2.0580 -4 2 1 2
44.25 90.39 2.0467 9 1 0 2
44.25 8.83 2.0467 7 1 1 2
46.25 10.98 1.9629 5 2 1 2
46.25 3.12 1.9629 -5 2 1 2
47.95 4.96 1.8974 8 1 1 2
48.89 5.83 1.8628 -6 2 1 2
51.89 1.24 1.7621 9 1 1 2
51.89 1.22 1.7621 7 2 1 2
51.89 9.13 1.7621 -7 2 1 2
53.08 13.26 1.7253 1 3 1 2
53.08 6.63 1.7253 -1 0 2 1
53.74 2.11 1.7056 -2 3 1 2
53.74 10.61 1.7056 2 3 1 2
53.74 5.30 1.7056 -2 0 2 1
53.74 1.05 1.7056 2 0 2 1
54.84 13.63 1.6742 3 3 1 2
54.84 3.32 1.6742 -3 3 1 2
54.84 1.66 1.6742 3 0 2 1
54.84 6.81 1.6742 -3 0 2 1
55.20 9.04 1.6641 -8 2 1 2
56.06 2.71 1.6406 -10 1 1 2
56.06 7.48 1.6406 2 1 2 2
56.34 4.14 1.6330 12 0 0 1
56.34 4.12 1.6330 4 3 1 2
56.34 2.30 1.6330 -4 3 1 2
56.34 1.15 1.6330 4 0 2 1
56.34 2.06 1.6330 -4 0 2 1
57.12 5.16 1.6126 3 1 2 2
57.12 1.57 1.6126 -3 1 2 2
58.24 12.68 1.5842 5 3 1 2
58.24 8.99 1.5842 -5 3 1 2
58.24 6.34 1.5842 -5 0 2 1
58.24 4.50 1.5842 5 0 2 1
58.58 4.97 1.5757 4 1 2 2
58.58 5.87 1.5757 -4 1 2 2
60.44 1.08 1.5317 11 1 1 2
60.44 2.91 1.5317 -11 1 1 2
60.44 1.29 1.5317 5 1 2 2
60.44 4.54 1.5317 -5 1 2 2
60.50 1.69 1.5302 6 3 1 2
60.50 7.01 1.5302 -6 3 1 2
60.50 3.51 1.5302 6 0 2 1
62.06 1.25 1.4956 1 2 2 2
62.66 2.58 1.4827 6 1 2 2
63.12 4.52 1.4729 7 3 1 2
63.12 8.27 1.4729 -7 3 1 2
63.12 4.13 1.4729 7 0 2 1
63.12 2.26 1.4729 -7 0 2 1
65.03 1.05 1.4343 12 1 1 2
65.22 4.24 1.4304 7 1 2 2
66.07 1.28 1.4142 -8 3 1 2
66.07 6.22 1.4142 8 3 1 2
66.07 3.11 1.4142 -8 0 2 1
66.78 1.10 1.4009 11 2 1 2
68.12 4.55 1.3765 8 1 2 2
68.88 4.99 1.3631 6 4 0 2
68.88 3.92 1.3631 -2 4 1 2
69.33 1.95 1.3555 9 3 1 2
69.83 2.67 1.3469 -3 4 1 2
71.15 1.46 1.3252 12 2 1 2
71.15 3.11 1.3252 4 4 1 2
71.15 2.56 1.3252 -4 4 1 2
71.33 1.90 1.3222 -7 2 2 2
72.83 2.41 1.2987 5 4 1 2
72.89 1.01 1.2978 10 3 1 2
72.89 1.26 1.2978 -10 3 1 2
74.12 1.17 1.2792 -8 2 2 2
74.30 2.43 1.2765 15 1 0 2
74.86 1.44 1.2684 -6 4 1 2
76.75 3.15 1.2418 -11 3 1 2
76.75 4.29 1.2418 11 3 1 2
76.75 1.57 1.2418 11 0 2 1
76.75 2.14 1.2418 -11 0 2 1
77.23 2.42 1.2352 -7 4 1 2
79.95 2.77 1.2000 -8 4 1 2
80.67 1.92 1.1911 14 2 1 2
80.91 1.01 1.1882 12 3 1 2
80.91 4.81 1.1882 -12 3 1 2
80.91 2.41 1.1882 12 0 2 1
84.42 1.03 1.1474 11 2 2 2
85.37 7.33 1.1371 -13 3 1 2
85.37 4.83 1.1371 13 3 1 2
85.37 2.41 1.1371 -13 0 2 1
85.37 3.66 1.1371 13 0 2 1
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.