Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #3b based on stacking sequence ABABCACABCBC. Ideal analogue of low
clinopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002999
CELL PARAMETERS: 6.9282 6.0000 3.4641 90.000 109.471 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 135.764
Density (g/cm3): 9.821
MAX. ABS. INTENSITY / VOLUME**2: 20.48508925
RIR: 0.679
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.10 1.06 4.4188 1 1 0 4
27.31 3.59 3.2660 2 0 0 2
29.78 7.62 3.0000 0 2 0 2
30.14 3.40 2.9654 -1 1 1 4
31.18 21.09 2.8685 0 1 1 4
35.07 1.33 2.5584 -2 1 1 4
40.02 5.03 2.2528 -1 2 1 4
40.84 11.38 2.2094 0 2 1 4
40.84 25.15 2.2094 2 2 0 4
44.00 58.16 2.0580 -2 2 1 4
44.25 83.01 2.0467 3 1 0 4
44.25 16.99 2.0467 -3 1 1 4
46.25 10.71 1.9629 1 2 1 4
53.08 10.15 1.7253 -1 3 1 4
53.08 5.08 1.7253 -1 0 2 2
53.74 14.15 1.7056 0 3 1 4
53.74 7.07 1.7056 -2 0 2 2
55.20 14.54 1.6641 2 2 1 4
55.41 1.76 1.6581 -1 1 2 4
56.06 4.33 1.6406 -2 1 2 4
56.34 40.98 1.6330 -2 3 1 4
56.34 20.49 1.6330 0 0 2 2
56.34 3.80 1.6330 4 0 0 2
58.58 23.03 1.5757 0 1 2 4
60.44 8.32 1.5317 3 1 1 4
60.44 4.45 1.5317 -3 1 2 4
62.66 2.37 1.4827 -2 2 2 4
63.12 25.24 1.4729 -3 3 1 4
63.12 12.62 1.4729 1 0 2 2
66.07 2.11 1.4142 2 3 1 4
66.07 1.05 1.4142 -4 0 2 2
68.12 7.13 1.3765 -4 1 2 4
68.88 2.40 1.3631 0 4 1 4
68.88 4.58 1.3631 2 4 0 4
71.15 12.05 1.3252 -2 4 1 4
71.33 3.54 1.3222 1 2 2 4
72.83 2.38 1.2987 1 4 1 4
72.89 3.87 1.2978 2 0 2 2
72.89 7.74 1.2978 -4 3 1 4
74.30 2.23 1.2765 5 1 0 4
75.77 3.96 1.2554 -5 2 1 4
79.95 4.23 1.2000 2 4 1 4
80.67 2.21 1.1911 4 2 1 4
84.42 2.87 1.1474 -5 2 2 4
85.37 12.32 1.1371 3 0 2 2
85.37 24.64 1.1371 -5 3 1 4
87.27 2.63 1.1172 3 1 2 4
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.