Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 180 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003474
CELL PARAMETERS: 7.5260 6.9280 4.0000 90.000 110.800 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 194.968
Density (g/cm3): 6.839
MAX. ABS. INTENSITY / VOLUME**2: 18.46923480
RIR: 0.879
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
25.72 26.77 3.4640 0 2 0 2
26.06 1.15 3.4187 -1 1 1 4
33.48 8.31 2.6769 1 1 1 4
35.32 50.34 2.5412 0 2 1 4
36.40 22.75 2.4682 2 2 0 4
38.37 100.00 2.3461 -2 2 1 4
39.61 34.05 2.2751 -3 1 1 4
40.61 61.14 2.2213 3 1 0 4
41.14 5.26 2.1942 1 3 0 4
45.56 16.87 1.9911 -1 3 1 4
46.19 3.99 1.9653 -2 0 2 2
47.52 1.72 1.9135 -1 1 2 4
48.70 49.81 1.8697 0 0 2 2
49.03 11.70 1.8580 2 2 1 4
50.51 5.77 1.8071 1 3 1 4
51.99 1.80 1.7589 4 0 0 2
52.86 1.84 1.7320 0 4 0 2
54.70 10.73 1.6780 3 1 1 4
55.09 18.19 1.6670 -3 3 1 4
55.88 2.23 1.6455 3 3 0 4
55.94 2.26 1.6437 -4 2 1 4
56.84 5.01 1.6199 1 1 2 4
57.83 10.94 1.5945 -4 0 2 2
58.75 8.48 1.5716 0 4 1 4
58.89 1.88 1.5683 4 2 0 4
59.49 3.26 1.5539 2 4 0 4
60.86 21.21 1.5220 -2 4 1 4
64.18 3.38 1.4512 2 0 2 2
65.58 1.44 1.4236 -3 3 2 4
67.98 1.60 1.3789 5 1 0 4
68.99 4.02 1.3612 2 4 1 4
69.09 2.46 1.3595 1 5 0 4
69.58 1.23 1.3511 1 3 2 4
70.34 5.17 1.3384 2 2 2 4
72.34 4.31 1.3062 4 2 1 4
72.78 4.92 1.2994 -2 4 2 4
73.57 1.68 1.2874 -3 1 3 4
73.60 1.68 1.2870 -1 1 3 4
75.39 19.73 1.2608 -5 3 1 4
76.57 13.51 1.2443 -2 2 3 4
76.91 8.40 1.2397 3 1 2 4
79.60 4.23 1.2044 -6 0 2 2
79.86 2.89 1.2011 -3 5 1 4
80.52 1.47 1.1929 3 5 0 4
82.21 6.98 1.1726 6 0 0 2
83.77 10.17 1.1547 0 6 0 2
85.14 3.50 1.1396 -3 3 3 4
85.16 3.50 1.1393 -1 3 3 4
85.33 1.78 1.1376 -6 2 2 4
89.01 2.89 1.0998 -3 5 2 4
89.65 2.04 1.0936 4 4 1 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.