Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #49b based on stacking sequence ABABCABCACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003070
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: 18.89653003
RIR: 0.626
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 8.26 3.0000 0 2 0 2
30.14 3.37 2.9654 -1 1 1 2
30.14 3.21 2.9654 1 1 1 2
31.18 3.59 2.8685 -2 1 1 2
31.18 2.69 2.8685 2 1 1 2
32.85 6.31 2.7262 -3 1 1 2
35.07 1.24 2.5584 -4 1 1 2
40.02 2.98 2.2528 -1 2 1 2
40.02 2.02 2.2528 1 2 1 2
40.84 27.27 2.2094 6 2 0 2
40.84 10.25 2.2094 -2 2 1 2
40.84 1.71 2.2094 2 2 1 2
42.18 3.95 2.1423 3 2 1 2
42.18 3.95 2.1423 -3 2 1 2
44.00 29.03 2.0580 4 2 1 2
44.00 3.40 2.0580 -4 2 1 2
44.25 89.99 2.0467 9 1 0 2
44.25 9.49 2.0467 7 1 1 2
46.25 7.89 1.9629 5 2 1 2
47.95 5.02 1.8974 8 1 1 2
48.89 3.20 1.8628 6 2 1 2
48.89 14.61 1.8628 -6 2 1 2
51.89 1.79 1.7621 -9 1 1 2
51.89 3.72 1.7621 9 1 1 2
51.89 2.37 1.7621 7 2 1 2
51.89 10.24 1.7621 -7 2 1 2
53.08 7.80 1.7253 1 3 1 2
53.08 3.90 1.7253 -1 0 2 1
53.74 8.20 1.7056 -2 3 1 2
53.74 16.66 1.7056 2 3 1 2
53.74 8.33 1.7056 -2 0 2 1
53.74 4.10 1.7056 2 0 2 1
54.84 23.83 1.6742 3 3 1 2
54.84 3.30 1.6742 -3 3 1 2
54.84 1.65 1.6742 3 0 2 1
54.84 11.92 1.6742 -3 0 2 1
55.20 8.49 1.6641 -8 2 1 2
55.41 1.10 1.6581 1 1 2 2
56.06 2.20 1.6406 -10 1 1 2
56.06 3.84 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 5.48 1.6330 -4 3 1 2
56.34 2.74 1.6330 4 0 2 1
56.34 3.65 1.6330 -4 0 2 1
57.12 1.51 1.6126 3 1 2 2
57.12 1.51 1.6126 -3 1 2 2
58.24 3.96 1.5842 5 3 1 2
58.24 3.41 1.5842 -5 3 1 2
58.24 1.98 1.5842 -5 0 2 1
58.24 1.70 1.5842 5 0 2 1
58.58 1.34 1.5757 4 1 2 2
58.58 11.50 1.5757 -4 1 2 2
60.44 4.32 1.5317 -11 1 1 2
60.44 3.26 1.5317 -5 1 2 2
62.66 6.43 1.4827 6 1 2 2
62.66 1.37 1.4827 -6 1 2 2
63.12 12.29 1.4729 7 3 1 2
63.12 2.09 1.4729 -7 3 1 2
63.12 1.04 1.4729 7 0 2 1
63.12 6.14 1.4729 -7 0 2 1
65.22 4.79 1.4304 7 1 2 2
65.22 1.14 1.4304 -7 1 2 2
66.07 5.00 1.4142 8 3 1 2
66.07 2.50 1.4142 -8 0 2 1
66.78 1.59 1.4009 11 2 1 2
68.12 4.19 1.3765 8 1 2 2
68.88 4.96 1.3631 6 4 0 2
68.88 2.06 1.3631 -2 4 1 2
69.33 1.93 1.3555 -9 3 1 2
69.33 5.43 1.3555 9 3 1 2
69.33 2.71 1.3555 -9 0 2 1
71.15 2.77 1.3252 12 2 1 2
71.15 6.03 1.3252 4 4 1 2
71.33 1.99 1.3222 -7 2 2 2
72.83 1.73 1.2987 5 4 1 2
72.89 1.04 1.2978 -10 3 1 2
74.12 1.20 1.2792 -8 2 2 2
74.30 2.42 1.2765 15 1 0 2
74.86 3.56 1.2684 -6 4 1 2
76.75 1.17 1.2418 -11 3 1 2
76.75 1.35 1.2418 11 3 1 2
77.23 2.76 1.2352 -7 4 1 2
79.95 2.50 1.2000 -8 4 1 2
80.67 1.10 1.1911 -14 2 1 2
82.82 1.71 1.1655 -12 1 2 2
84.42 1.50 1.1474 11 2 2 2
85.37 1.87 1.1371 -13 3 1 2
85.37 12.06 1.1371 13 3 1 2
85.37 6.03 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.