Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29a based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003036
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: 18.08846387
RIR: 0.600
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.20 4.4188 3 1 0 2
27.31 4.06 3.2660 6 0 0 1
29.78 8.63 3.0000 0 2 0 2
29.78 4.07 3.0000 0 1 1 2
30.14 4.38 2.9654 -1 1 1 2
30.14 20.06 2.9654 1 1 1 2
31.18 2.25 2.8685 -2 1 1 2
31.18 2.25 2.8685 2 1 1 2
32.85 2.78 2.7262 -3 1 1 2
40.84 28.49 2.2094 6 2 0 2
40.84 4.04 2.2094 6 1 1 2
40.84 4.45 2.2094 -6 1 1 2
40.84 16.03 2.2094 -2 2 1 2
40.84 4.65 2.2094 2 2 1 2
42.18 16.62 2.1423 3 2 1 2
42.18 26.51 2.1423 -3 2 1 2
44.00 5.26 2.0580 4 2 1 2
44.00 18.19 2.0580 -4 2 1 2
44.25 94.01 2.0467 9 1 0 2
44.25 1.17 2.0467 7 1 1 2
44.25 4.82 2.0467 -7 1 1 2
46.25 3.24 1.9629 5 2 1 2
46.25 3.24 1.9629 -5 2 1 2
48.89 3.24 1.8628 6 2 1 2
48.89 9.20 1.8628 -6 2 1 2
51.89 1.59 1.7621 -9 1 1 2
51.89 2.60 1.7621 9 1 1 2
51.89 1.27 1.7621 7 2 1 2
51.89 1.27 1.7621 -7 2 1 2
53.08 3.46 1.7253 -1 3 1 2
53.08 8.02 1.7253 1 3 1 2
53.08 4.01 1.7253 -1 0 2 1
53.08 1.73 1.7253 1 0 2 1
53.74 2.19 1.7056 -2 3 1 2
53.74 2.19 1.7056 2 3 1 2
53.74 1.10 1.7056 -2 0 2 1
53.74 1.10 1.7056 2 0 2 1
54.84 10.72 1.6742 3 3 1 2
54.84 5.36 1.6742 -3 0 2 1
55.20 1.76 1.6641 -8 2 1 2
55.20 4.12 1.6641 8 2 1 2
56.06 1.74 1.6406 -2 1 2 2
56.06 5.83 1.6406 2 1 2 2
56.34 4.30 1.6330 12 0 0 1
56.34 4.29 1.6330 4 3 1 2
56.34 4.29 1.6330 -4 3 1 2
56.34 2.14 1.6330 4 0 2 1
56.34 2.14 1.6330 -4 0 2 1
57.12 10.11 1.6126 3 1 2 2
57.12 6.38 1.6126 -3 1 2 2
58.24 4.24 1.5842 5 3 1 2
58.24 27.24 1.5842 -5 3 1 2
58.24 2.12 1.5842 -5 0 2 1
58.24 13.62 1.5842 5 0 2 1
58.58 7.19 1.5757 4 1 2 2
58.58 2.05 1.5757 -4 1 2 2
58.79 1.20 1.5706 -9 2 1 2
58.79 1.15 1.5706 9 2 1 2
60.44 2.46 1.5317 11 1 1 2
60.44 1.34 1.5317 5 1 2 2
60.44 1.34 1.5317 -5 1 2 2
60.50 4.26 1.5302 6 3 1 2
60.50 9.80 1.5302 -6 3 1 2
60.50 4.90 1.5302 6 0 2 1
60.50 2.13 1.5302 -6 0 2 1
62.06 2.11 1.4956 -1 2 2 2
62.66 4.04 1.4827 6 1 2 2
62.66 1.39 1.4827 -6 1 2 2
63.12 4.83 1.4729 7 3 1 2
63.12 8.53 1.4729 -7 3 1 2
63.12 4.27 1.4729 7 0 2 1
63.12 2.41 1.4729 -7 0 2 1
65.03 2.31 1.4343 12 1 1 2
65.03 1.71 1.4343 -12 1 1 2
66.07 1.33 1.4142 -8 3 1 2
66.07 1.33 1.4142 8 3 1 2
68.12 2.02 1.3765 -8 1 2 2
68.88 5.19 1.3631 6 4 0 2
68.88 2.92 1.3631 -2 4 1 2
69.33 1.81 1.3555 -9 3 1 2
69.33 3.64 1.3555 9 3 1 2
69.33 1.82 1.3555 -9 0 2 1
69.83 5.27 1.3469 -3 4 1 2
69.83 3.36 1.3469 3 4 1 2
71.15 1.38 1.3252 12 2 1 2
71.15 1.04 1.3252 4 4 1 2
71.15 3.76 1.3252 -4 4 1 2
71.33 1.00 1.3222 7 2 2 2
72.89 1.05 1.2978 10 3 1 2
72.89 1.05 1.2978 -10 3 1 2
74.30 2.53 1.2765 15 1 0 2
74.86 2.22 1.2684 -6 4 1 2
76.75 9.32 1.2418 -11 3 1 2
76.75 1.44 1.2418 11 3 1 2
76.75 4.66 1.2418 11 0 2 1
79.95 1.20 1.2000 8 4 1 2
80.67 1.06 1.1911 14 2 1 2
80.67 2.07 1.1911 -14 2 1 2
80.91 3.57 1.1882 12 3 1 2
80.91 7.53 1.1882 -12 3 1 2
80.91 1.78 1.1882 -12 0 2 1
80.91 3.76 1.1882 12 0 2 1
85.37 8.15 1.1371 -13 3 1 2
85.37 3.95 1.1371 13 3 1 2
85.37 1.98 1.1371 -13 0 2 1
85.37 4.08 1.1371 13 0 2 1
85.85 1.08 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.