Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #17a based on stacking sequence ABABACACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003019
CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000
SPACE GROUP: P2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 407.293
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 18.33515425
RIR: 0.608
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.19 4.4188 3 1 0 4
27.31 4.01 3.2660 6 0 0 2
29.78 8.51 3.0000 0 2 0 2
30.14 1.27 2.9654 -1 1 1 4
30.14 24.47 2.9654 1 1 1 4
31.18 8.59 2.8685 -2 1 1 4
31.18 1.02 2.8685 2 1 1 4
40.84 28.10 2.2094 6 2 0 4
40.84 3.51 2.2094 6 1 1 4
40.84 3.51 2.2094 -6 1 1 4
40.84 21.08 2.2094 -2 2 1 4
40.84 4.24 2.2094 2 2 1 4
42.18 16.27 2.1423 3 2 1 4
42.18 16.27 2.1423 -3 2 1 4
44.00 2.52 2.0580 4 2 1 4
44.00 21.66 2.0580 -4 2 1 4
44.25 92.74 2.0467 9 1 0 4
44.25 6.33 2.0467 -7 1 1 4
46.25 8.80 1.9629 5 2 1 4
46.25 10.32 1.9629 -5 2 1 4
47.95 2.86 1.8974 8 1 1 4
51.89 4.72 1.7621 -7 2 1 4
53.08 3.78 1.7253 -1 3 1 4
53.08 10.54 1.7253 1 3 1 4
53.08 5.27 1.7253 -1 0 2 2
53.08 1.89 1.7253 1 0 2 2
53.74 1.14 1.7056 -2 3 1 4
53.74 3.38 1.7056 2 3 1 4
53.74 1.69 1.7056 -2 0 2 2
55.20 1.91 1.6641 -8 2 1 4
55.20 5.42 1.6641 8 2 1 4
56.06 1.40 1.6406 10 1 1 4
56.06 1.93 1.6406 -10 1 1 4
56.06 1.61 1.6406 -2 1 2 4
56.06 7.66 1.6406 2 1 2 4
56.34 4.25 1.6330 12 0 0 2
56.34 16.20 1.6330 4 3 1 4
56.34 1.65 1.6330 -4 3 1 4
56.34 8.10 1.6330 -4 0 2 2
57.12 6.24 1.6126 3 1 2 4
57.12 6.24 1.6126 -3 1 2 4
58.24 34.19 1.5842 -5 3 1 4
58.24 17.10 1.5842 5 0 2 2
58.58 8.58 1.5757 4 1 2 4
60.44 3.10 1.5317 11 1 1 4
60.44 4.28 1.5317 5 1 2 4
60.44 3.64 1.5317 -5 1 2 4
60.50 3.30 1.5302 6 3 1 4
60.50 3.30 1.5302 -6 3 1 4
60.50 1.65 1.5302 6 0 2 2
60.50 1.65 1.5302 -6 0 2 2
62.06 2.57 1.4956 -1 2 2 4
63.12 3.92 1.4729 7 3 1 4
63.12 9.40 1.4729 -7 3 1 4
63.12 4.70 1.4729 7 0 2 2
63.12 1.96 1.4729 -7 0 2 2
65.03 1.61 1.4343 12 1 1 4
65.03 1.61 1.4343 -12 1 1 4
65.22 2.17 1.4304 7 1 2 4
66.07 3.33 1.4142 -8 3 1 4
66.07 4.46 1.4142 8 3 1 4
66.07 1.66 1.4142 8 0 2 2
66.07 2.23 1.4142 -8 0 2 2
68.12 1.04 1.3765 8 1 2 4
68.12 2.66 1.3765 -8 1 2 4
68.88 5.12 1.3631 6 4 0 4
68.88 3.84 1.3631 -2 4 1 4
69.83 3.28 1.3469 -3 4 1 4
69.83 3.28 1.3469 3 4 1 4
71.15 4.49 1.3252 -4 4 1 4
71.33 1.32 1.3222 7 2 2 4
72.83 1.93 1.2987 5 4 1 4
72.83 2.28 1.2987 -5 4 1 4
72.89 4.14 1.2978 10 3 1 4
72.89 1.28 1.2978 -10 3 1 4
72.89 2.07 1.2978 -10 0 2 2
74.30 2.49 1.2765 15 1 0 4
75.77 2.00 1.2554 13 2 1 4
76.75 11.71 1.2418 -11 3 1 4
76.75 5.86 1.2418 11 0 2 2
77.23 1.23 1.2352 -7 4 1 4
79.95 1.57 1.2000 8 4 1 4
80.67 2.32 1.1911 -14 2 1 4
80.91 3.32 1.1882 12 3 1 4
80.91 3.32 1.1882 -12 3 1 4
80.91 1.66 1.1882 -12 0 2 2
80.91 1.66 1.1882 12 0 2 2
84.42 1.07 1.1474 -11 2 2 4
85.37 9.18 1.1371 -13 3 1 4
85.37 2.96 1.1371 13 3 1 4
85.37 1.48 1.1371 -13 0 2 2
85.37 4.59 1.1371 13 0 2 2
87.27 1.32 1.1172 -13 1 2 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.