Orthopyroxene
Tachi T, Horiuchi H, Nagasawa H
Physics and Chemistry of Minerals 24 (1997) 463-476
Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6,
and behavior of Cu2+ in the orthopyroxene structure
_database_code_amcsd 0008029
CELL PARAMETERS: 18.2210 8.8900 5.2260 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 846.532
Density (g/cm3): 3.498
MAX. ABS. INTENSITY / VOLUME**2: 7.530576764
RIR: 0.701
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.49 12.07 4.5553 4 0 0 2
20.31 8.56 4.3735 1 1 1 8
22.01 32.33 4.0384 2 1 1 8
24.60 6.11 3.6184 3 1 1 8
26.78 17.01 3.3289 1 2 1 8
27.85 22.69 3.2032 4 1 1 8
28.05 96.98 3.1814 4 2 0 4
28.12 100.00 3.1738 2 2 1 8
30.22 38.65 2.9574 3 2 1 8
31.12 69.92 2.8738 6 1 0 4
31.58 38.20 2.8333 5 1 1 8
31.75 2.76 2.8180 2 3 0 4
32.96 18.30 2.7174 4 2 1 8
34.68 1.63 2.5865 1 0 2 4
35.16 60.77 2.5523 1 3 1 8
35.65 14.52 2.5182 6 1 1 8
35.75 39.04 2.5117 2 0 2 4
36.21 22.55 2.4805 5 2 1 8
36.22 23.72 2.4804 2 3 1 8
37.47 24.48 2.4003 3 0 2 4
40.00 12.49 2.2539 7 1 1 8
40.20 4.98 2.2435 4 3 1 8
40.34 4.54 2.2356 1 2 2 8
40.59 2.51 2.2225 0 4 0 2
41.10 2.03 2.1963 4 1 2 8
42.57 39.12 2.1235 5 0 2 4
42.63 2.07 2.1209 6 3 0 4
42.82 9.87 2.1120 3 2 2 8
42.98 30.58 2.1045 5 3 1 8
43.83 8.39 2.0654 5 1 2 8
43.87 5.86 2.0637 7 2 1 8
44.58 2.80 2.0326 8 1 1 8
44.58 7.63 2.0325 1 4 1 8
44.71 8.67 2.0270 8 2 0 4
45.41 14.06 1.9974 4 4 0 4
45.45 14.84 1.9956 2 4 1 8
46.19 27.37 1.9652 6 3 1 8
46.87 1.41 1.9383 3 4 1 8
47.45 2.20 1.9161 5 2 2 8
48.15 3.55 1.8898 8 2 1 8
48.81 1.01 1.8658 4 4 1 8
48.83 1.94 1.8652 3 3 2 8
49.42 11.36 1.8441 7 0 2 4
49.78 1.91 1.8316 7 3 1 8
50.44 3.77 1.8092 6 2 2 8
51.18 5.93 1.7850 10 1 0 4
51.22 5.14 1.7835 5 4 1 8
52.43 8.47 1.7451 2 5 0 4
53.70 9.79 1.7068 8 3 1 8
53.82 12.21 1.7033 7 2 2 8
53.87 1.43 1.7020 1 1 3 8
54.31 2.05 1.6892 10 1 1 8
54.43 4.98 1.6858 8 1 2 8
54.43 6.66 1.6857 1 4 2 8
54.62 9.81 1.6802 2 1 3 8
55.18 3.94 1.6645 2 4 2 8
55.52 5.75 1.6552 2 5 1 8
55.87 2.82 1.6456 3 1 3 8
56.75 3.24 1.6221 3 5 1 8
56.76 23.91 1.6219 0 2 3 4
57.01 2.86 1.6155 1 2 3 8
57.59 10.69 1.6004 9 0 2 4
57.92 16.16 1.5922 9 3 1 8
58.45 1.98 1.5789 4 5 1 8
58.61 3.59 1.5751 9 1 2 8
59.75 2.04 1.5477 5 1 3 8
60.28 2.10 1.5354 5 4 2 8
60.32 4.93 1.5344 6 5 0 4
60.60 4.38 1.5281 5 5 1 8
61.02 9.29 1.5184 12 0 0 2
61.59 8.99 1.5058 9 2 2 8
62.01 14.08 1.4967 1 3 3 8
62.41 21.02 1.4879 10 3 1 8
62.70 14.79 1.4817 2 3 3 8
62.71 24.02 1.4817 0 6 0 2
63.15 2.30 1.4722 6 5 1 8
65.31 7.15 1.4287 3 5 2 8
65.80 3.22 1.4192 7 4 2 8
66.11 3.16 1.4135 7 5 1 8
66.88 9.29 1.3990 11 0 2 4
67.17 25.08 1.3935 11 3 1 8
67.45 2.42 1.3885 5 3 3 8
67.81 7.24 1.3820 11 1 2 8
68.43 7.54 1.3710 0 4 3 4
69.88 16.78 1.3461 6 3 3 8
71.92 2.10 1.3129 4 4 3 8
72.21 10.96 1.3083 12 3 1 8
72.32 2.40 1.3065 0 0 4 2
72.54 2.10 1.3032 1 0 4 4
72.69 1.38 1.3008 7 3 3 8
72.82 7.40 1.2988 12 1 2 8
73.11 1.16 1.2943 9 5 1 8
73.18 1.65 1.2933 2 0 4 4
73.44 3.28 1.2894 1 1 4 8
73.55 2.35 1.2878 14 1 0 4
74.25 2.35 1.2773 3 0 4 4
74.33 8.64 1.2762 2 6 2 8
74.57 1.73 1.2725 10 5 0 4
75.39 9.71 1.2608 3 6 2 8
75.74 5.49 1.2559 4 0 4 4
75.91 1.26 1.2535 0 2 4 4
76.12 1.15 1.2505 1 2 4 8
76.13 2.10 1.2504 14 1 1 8
76.39 4.21 1.2467 10 1 3 8
76.74 1.96 1.2420 8 6 0 4
76.78 1.03 1.2414 1 5 3 8
77.15 1.16 1.2364 10 5 1 8
77.24 3.25 1.2351 8 5 2 8
77.41 5.25 1.2329 2 5 3 8
78.46 1.40 1.2190 3 5 3 8
78.76 5.52 1.2151 5 6 2 8
79.27 2.16 1.2086 4 2 4 8
80.75 2.31 1.1901 13 2 2 8
80.80 5.14 1.1895 9 5 2 8
81.14 1.21 1.1853 5 2 4 8
82.19 1.42 1.1728 15 1 1 8
82.53 1.91 1.1689 5 7 1 8
82.63 1.46 1.1677 7 0 4 4
83.74 3.43 1.1550 7 6 2 8
84.80 1.37 1.1433 6 7 1 8
85.21 2.12 1.1388 16 0 0 2
85.73 2.47 1.1333 8 0 4 4
86.39 1.58 1.1263 0 4 4 4
88.13 1.87 1.1085 12 2 3 8
88.66 2.03 1.1032 16 2 0 4
89.04 2.18 1.0995 11 5 2 8
89.18 2.39 1.0982 8 2 4 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.