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 protopyroxene after Yang et al. (1999)
with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003523
CELL PARAMETERS: 9.1540 8.9810 5.1850 90.000 90.000 90.000
SPACE GROUP: Pbcn
X-RAY WAVELENGTH: 1.541838
Cell Volume: 426.270
Density (g/cm3): 3.128
MAX. ABS. INTENSITY / VOLUME**2: 11.04134812
RIR: 1.149
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.77 18.36 4.4905 0 2 0 2
26.25 1.91 3.3944 0 2 1 4
27.83 17.22 3.2054 2 2 0 4
27.83 21.61 3.2054 2 1 1 8
28.04 100.00 3.1827 1 2 1 8
30.95 48.24 2.8891 3 1 0 4
31.44 4.25 2.8454 1 3 0 4
32.85 28.51 2.7265 2 2 1 8
34.60 2.39 2.5925 0 0 2 2
35.57 15.42 2.5238 3 1 1 8
36.00 10.67 2.4945 1 3 1 8
36.01 34.57 2.4944 1 0 2 4
39.37 3.10 2.2885 4 0 0 2
39.97 1.56 2.2558 2 3 1 8
39.97 24.14 2.2558 2 0 2 4
40.16 1.84 2.2452 0 4 0 2
41.26 2.51 2.1878 2 1 2 8
42.29 2.19 2.1369 3 3 0 4
44.43 1.89 2.0390 4 2 0 4
44.43 4.81 2.0390 4 1 1 8
44.97 2.82 2.0158 2 4 0 4
45.10 23.55 2.0101 1 4 1 8
45.93 22.95 1.9757 3 3 1 8
47.10 3.96 1.9296 3 1 2 8
47.94 3.56 1.8975 4 2 1 8
48.45 8.41 1.8788 2 4 1 8
50.47 4.77 1.8084 3 2 2 8
50.67 1.70 1.8016 2 3 2 8
50.90 1.26 1.7939 5 1 0 4
51.87 2.73 1.7626 1 5 0 4
53.40 6.17 1.7157 4 3 1 8
53.40 3.73 1.7157 4 0 2 4
54.03 4.25 1.6972 0 4 2 4
54.45 4.08 1.6852 4 1 2 8
55.03 2.13 1.6688 1 4 2 8
55.03 2.78 1.6688 1 1 3 8
57.10 13.96 1.6130 0 2 3 4
57.17 2.76 1.6114 5 2 1 8
57.50 1.06 1.6027 4 4 0 4
57.50 2.10 1.6027 4 2 2 8
57.95 2.58 1.5914 2 5 1 8
57.95 1.05 1.5913 2 1 3 8
59.74 1.15 1.5479 3 5 0 4
60.70 7.11 1.5257 6 0 0 2
62.00 10.92 1.4968 0 6 0 2
62.06 21.08 1.4955 5 3 1 8
62.06 1.61 1.4955 5 0 2 4
62.63 1.28 1.4832 3 5 1 8
62.92 7.11 1.4772 1 3 3 8
63.01 7.64 1.4752 5 1 2 8
63.86 2.22 1.4576 1 5 2 8
66.55 1.20 1.4052 2 5 2 8
68.51 7.48 1.3696 0 4 3 4
68.57 1.50 1.3686 5 4 1 8
68.87 1.22 1.3632 4 5 1 8
70.01 7.13 1.3438 3 3 3 8
71.79 7.56 1.3149 6 3 1 8
72.68 6.24 1.3010 6 1 2 8
73.13 1.40 1.2941 7 1 0 4
73.83 10.11 1.2835 1 6 2 8
73.83 4.26 1.2834 1 0 4 4
73.92 1.44 1.2822 5 5 0 4
76.36 6.04 1.2472 2 6 2 8
76.36 3.11 1.2472 2 0 4 4
76.54 1.54 1.2447 5 1 3 8
76.83 2.10 1.2407 4 5 2 8
77.23 1.34 1.2353 2 1 4 8
77.32 2.21 1.2340 1 2 4 8
83.91 1.66 1.1531 3 7 1 8
84.25 1.63 1.1493 5 5 2 8
86.23 3.56 1.1279 4 6 2 8
86.24 2.33 1.1279 4 0 4 4
87.08 1.62 1.1191 4 1 4 8
88.14 2.43 1.1084 6 2 3 8
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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.