Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #46a based on stacking sequence ABABCABACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003063
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: 19.05299507
RIR: 0.632
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.14 4.4188 3 1 0 2
27.31 3.86 3.2660 6 0 0 1
29.78 8.19 3.0000 0 2 0 2
29.78 3.86 3.0000 0 1 1 2
30.14 3.71 2.9654 1 1 1 2
31.18 2.13 2.8685 -2 1 1 2
31.18 3.83 2.8685 2 1 1 2
32.85 6.18 2.7262 -3 1 1 2
35.07 1.20 2.5584 -4 1 1 2
40.02 3.22 2.2528 -1 2 1 2
40.84 27.04 2.2094 6 2 0 2
40.84 19.94 2.2094 -2 2 1 2
40.84 1.36 2.2094 2 2 1 2
42.18 2.85 2.1423 3 2 1 2
42.18 2.85 2.1423 -3 2 1 2
44.00 14.54 2.0580 4 2 1 2
44.00 6.95 2.0580 -4 2 1 2
44.25 89.25 2.0467 9 1 0 2
44.25 8.72 2.0467 7 1 1 2
44.25 2.03 2.0467 -7 1 1 2
46.25 2.43 1.9629 5 2 1 2
46.25 3.08 1.9629 -5 2 1 2
47.95 2.91 1.8974 8 1 1 2
48.89 8.36 1.8628 6 2 1 2
48.89 19.68 1.8628 -6 2 1 2
51.89 3.71 1.7621 -9 1 1 2
51.89 5.63 1.7621 9 1 1 2
51.89 1.21 1.7621 7 2 1 2
51.89 6.83 1.7621 -7 2 1 2
53.08 1.21 1.7253 -1 3 1 2
53.08 13.10 1.7253 1 3 1 2
53.08 6.55 1.7253 -1 0 2 1
53.74 2.08 1.7056 -2 3 1 2
53.74 15.35 1.7056 2 3 1 2
53.74 7.68 1.7056 -2 0 2 1
53.74 1.04 1.7056 2 0 2 1
54.84 23.73 1.6742 3 3 1 2
54.84 3.37 1.6742 -3 3 1 2
54.84 1.68 1.6742 3 0 2 1
54.84 11.86 1.6742 -3 0 2 1
55.20 8.92 1.6641 -8 2 1 2
55.20 1.74 1.6641 8 2 1 2
55.41 1.17 1.6581 1 1 2 2
56.06 7.39 1.6406 2 1 2 2
56.34 4.09 1.6330 12 0 0 1
56.34 4.07 1.6330 4 3 1 2
56.34 7.91 1.6330 -4 3 1 2
56.34 3.96 1.6330 4 0 2 1
56.34 2.03 1.6330 -4 0 2 1
57.12 1.07 1.6126 3 1 2 2
57.12 1.07 1.6126 -3 1 2 2
58.24 8.88 1.5842 -5 3 1 2
58.24 4.44 1.5842 5 0 2 1
58.58 2.75 1.5757 4 1 2 2
58.58 5.80 1.5757 -4 1 2 2
60.44 2.87 1.5317 -11 1 1 2
60.44 1.27 1.5317 5 1 2 2
60.44 1.00 1.5317 -5 1 2 2
60.50 3.11 1.5302 6 3 1 2
60.50 3.11 1.5302 -6 3 1 2
60.50 1.55 1.5302 6 0 2 1
60.50 1.55 1.5302 -6 0 2 1
62.66 8.63 1.4827 6 1 2 2
62.66 3.61 1.4827 -6 1 2 2
63.12 4.46 1.4729 7 3 1 2
63.12 3.01 1.4729 -7 3 1 2
63.12 1.51 1.4729 7 0 2 1
63.12 2.23 1.4729 -7 0 2 1
65.22 3.23 1.4304 7 1 2 2
66.07 1.26 1.4142 -8 3 1 2
66.07 1.93 1.4142 8 3 1 2
66.78 1.37 1.4009 11 2 1 2
68.12 4.49 1.3765 8 1 2 2
68.88 4.92 1.3631 6 4 0 2
68.88 3.87 1.3631 -2 4 1 2
69.33 4.35 1.3555 -9 3 1 2
69.33 7.82 1.3555 9 3 1 2
69.33 3.91 1.3555 -9 0 2 1
69.33 2.18 1.3555 9 0 2 1
71.15 2.99 1.3252 12 2 1 2
71.15 3.07 1.3252 4 4 1 2
71.15 1.44 1.3252 -4 4 1 2
71.33 1.88 1.3222 -7 2 2 2
72.89 1.00 1.2978 10 3 1 2
74.30 2.40 1.2765 15 1 0 2
74.86 1.95 1.2684 6 4 1 2
74.86 4.75 1.2684 -6 4 1 2
76.75 3.11 1.2418 -11 3 1 2
76.75 1.55 1.2418 11 0 2 1
77.23 1.88 1.2352 -7 4 1 2
77.23 1.49 1.2352 -9 2 2 2
79.95 2.73 1.2000 -8 4 1 2
80.91 1.68 1.1882 12 3 1 2
80.91 1.68 1.1882 -12 3 1 2
82.82 1.82 1.1655 -12 1 2 2
84.42 1.02 1.1474 11 2 2 2
85.37 2.94 1.1371 -13 3 1 2
85.37 4.77 1.1371 13 3 1 2
85.37 2.38 1.1371 -13 0 2 1
85.37 1.47 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.