Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29b based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003037
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: 18.36855320
RIR: 0.609
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.18 4.4188 3 1 0 2
27.31 4.00 3.2660 6 0 0 1
29.78 8.49 3.0000 0 2 0 2
29.78 4.00 3.0000 0 1 1 2
30.14 6.71 2.9654 -1 1 1 2
30.14 14.96 2.9654 1 1 1 2
31.18 2.21 2.8685 -2 1 1 2
31.18 2.21 2.8685 2 1 1 2
32.85 1.02 2.7262 3 1 1 2
32.85 3.75 2.7262 -3 1 1 2
40.84 28.05 2.2094 6 2 0 2
40.84 4.38 2.2094 6 1 1 2
40.84 3.97 2.2094 -6 1 1 2
40.84 1.81 2.2094 -2 2 1 2
40.84 11.57 2.2094 2 2 1 2
42.18 26.11 2.1423 3 2 1 2
42.18 16.37 2.1423 -3 2 1 2
44.00 29.83 2.0580 4 2 1 2
44.00 5.59 2.0580 -4 2 1 2
44.25 92.57 2.0467 9 1 0 2
44.25 4.20 2.0467 7 1 1 2
44.25 3.22 2.0467 -7 1 1 2
46.25 3.19 1.9629 5 2 1 2
46.25 3.19 1.9629 -5 2 1 2
48.89 5.97 1.8628 -6 2 1 2
51.89 1.27 1.7621 9 1 1 2
51.89 1.25 1.7621 7 2 1 2
51.89 1.25 1.7621 -7 2 1 2
53.08 6.87 1.7253 -1 3 1 2
53.08 3.43 1.7253 1 0 2 1
53.74 2.16 1.7056 -2 3 1 2
53.74 2.16 1.7056 2 3 1 2
53.74 1.08 1.7056 -2 0 2 1
53.74 1.08 1.7056 2 0 2 1
54.84 13.96 1.6742 3 3 1 2
54.84 3.40 1.6742 -3 3 1 2
54.84 1.70 1.6742 3 0 2 1
54.84 6.98 1.6742 -3 0 2 1
55.20 2.83 1.6641 -8 2 1 2
55.20 3.51 1.6641 8 2 1 2
56.06 4.25 1.6406 -2 1 2 2
56.34 4.24 1.6330 12 0 0 1
56.34 4.22 1.6330 4 3 1 2
56.34 4.22 1.6330 -4 3 1 2
56.34 2.11 1.6330 4 0 2 1
56.34 2.11 1.6330 -4 0 2 1
57.12 6.28 1.6126 3 1 2 2
57.12 9.96 1.6126 -3 1 2 2
58.24 10.65 1.5842 5 3 1 2
58.24 13.86 1.5842 -5 3 1 2
58.24 5.33 1.5842 -5 0 2 1
58.24 6.93 1.5842 5 0 2 1
58.58 2.22 1.5757 4 1 2 2
58.58 11.75 1.5757 -4 1 2 2
58.79 1.13 1.5706 -9 2 1 2
58.79 1.19 1.5706 9 2 1 2
60.44 3.21 1.5317 -11 1 1 2
60.44 1.32 1.5317 5 1 2 2
60.44 1.32 1.5317 -5 1 2 2
60.50 9.65 1.5302 6 3 1 2
60.50 4.19 1.5302 -6 3 1 2
60.50 2.10 1.5302 6 0 2 1
60.50 4.83 1.5302 -6 0 2 1
62.06 1.55 1.4956 -1 2 2 2
62.66 2.64 1.4827 6 1 2 2
63.12 16.74 1.4729 7 3 1 2
63.12 2.41 1.4729 -7 3 1 2
63.12 1.21 1.4729 7 0 2 1
63.12 8.37 1.4729 -7 0 2 1
65.03 1.68 1.4343 12 1 1 2
65.03 2.28 1.4343 -12 1 1 2
66.07 1.31 1.4142 -8 3 1 2
66.07 1.31 1.4142 8 3 1 2
68.12 1.34 1.3765 8 1 2 2
68.12 1.78 1.3765 -8 1 2 2
68.88 5.11 1.3631 6 4 0 2
68.88 2.19 1.3631 2 4 1 2
69.33 2.00 1.3555 9 3 1 2
69.33 1.00 1.3555 -9 0 2 1
69.83 3.31 1.3469 -3 4 1 2
69.83 5.19 1.3469 3 4 1 2
71.15 1.49 1.3252 12 2 1 2
71.15 6.10 1.3252 4 4 1 2
71.15 1.17 1.3252 -4 4 1 2
72.89 1.04 1.2978 10 3 1 2
72.89 1.04 1.2978 -10 3 1 2
74.30 2.49 1.2765 15 1 0 2
74.86 1.47 1.2684 -6 4 1 2
76.75 4.66 1.2418 -11 3 1 2
76.75 3.67 1.2418 11 3 1 2
76.75 2.33 1.2418 11 0 2 1
76.75 1.84 1.2418 -11 0 2 1
79.95 1.10 1.2000 8 4 1 2
80.67 2.97 1.1911 -14 2 1 2
80.91 7.41 1.1882 12 3 1 2
80.91 3.51 1.1882 -12 3 1 2
80.91 3.71 1.1882 -12 0 2 1
80.91 1.76 1.1882 12 0 2 1
84.42 1.08 1.1474 11 2 2 2
85.37 2.30 1.1371 -13 3 1 2
85.37 15.34 1.1371 13 3 1 2
85.37 7.67 1.1371 -13 0 2 1
85.37 1.15 1.1371 13 0 2 1
85.85 1.06 1.1320 -15 2 1 2
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.