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 zinc px after Morimoto et al. (1975)
with O3-O3-O3 angle = 161.3 and model oxygen radius = 1.329
_database_code_amcsd 0003507
CELL PARAMETERS: 9.7550 9.0830 5.2440 90.000 107.900 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 442.152
Density (g/cm3): 4.250
MAX. ABS. INTENSITY / VOLUME**2: 19.12420604
RIR: 1.465
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.64 57.81 6.4921 1 1 0 4
19.12 64.85 4.6414 2 0 0 2
19.55 1.15 4.5415 0 2 0 2
19.98 5.72 4.4449 -1 1 1 4
26.54 2.07 3.3588 0 2 1 4
27.48 25.04 3.2461 2 2 0 4
29.42 72.18 3.0356 -2 2 1 4
30.52 65.53 2.9290 3 1 0 4
30.57 30.54 2.9246 -3 1 1 4
31.07 2.17 2.8784 1 3 0 4
34.45 100.00 2.6031 -1 3 1 4
35.22 3.62 2.5485 -2 0 2 2
35.67 10.14 2.5172 -1 1 2 4
36.00 64.98 2.4951 0 0 2 2
36.11 29.50 2.4876 2 2 1 4
37.53 27.31 2.3965 1 3 1 4
38.80 4.15 2.3207 4 0 0 2
39.69 3.07 2.2708 0 4 0 2
39.97 12.52 2.2557 3 1 1 4
40.08 6.26 2.2497 -3 1 2 4
40.59 2.77 2.2225 -2 2 2 4
41.28 4.16 2.1868 0 2 2 4
41.47 18.07 2.1775 1 1 2 4
41.74 1.11 2.1640 3 3 0 4
41.77 57.46 2.1623 -3 3 1 4
42.52 11.90 2.1260 -4 2 1 4
43.81 4.06 2.0665 4 2 0 4
44.39 25.87 2.0406 -4 0 2 2
44.41 5.04 2.0397 2 4 0 4
45.72 16.54 1.9843 -2 4 1 4
46.31 18.39 1.9607 2 0 2 2
49.37 13.55 1.8458 3 3 1 4
50.58 12.26 1.8046 2 4 1 4
50.72 5.87 1.8001 2 2 2 4
51.24 6.31 1.7828 1 5 0 4
52.35 7.08 1.7477 4 2 1 4
53.88 2.01 1.7017 -1 1 3 4
54.09 2.75 1.6954 -2 4 2 4
54.84 8.36 1.6741 3 1 2 4
54.98 3.94 1.6700 -3 1 3 4
55.66 4.91 1.6514 -4 4 1 4
56.18 29.00 1.6373 -5 3 1 4
56.48 14.78 1.6293 -2 2 3 4
58.96 3.71 1.5666 3 5 0 4
58.99 2.99 1.5659 -3 5 1 4
59.77 13.56 1.5471 6 0 0 2
59.88 14.68 1.5446 -6 0 2 2
61.05 1.30 1.5178 -4 4 2 4
61.23 17.35 1.5138 0 6 0 2
61.69 20.80 1.5036 -1 3 3 4
62.47 5.39 1.4866 4 0 2 2
62.59 2.27 1.4840 2 4 2 4
62.71 7.84 1.4816 -3 3 3 4
63.63 1.18 1.4623 -6 2 2 4
64.03 3.29 1.4542 4 4 1 4
64.78 4.60 1.4392 2 6 0 4
65.13 3.11 1.4323 3 5 1 4
65.20 5.18 1.4308 -3 5 2 4
66.49 29.33 1.4062 5 3 1 4
67.69 9.32 1.3842 1 3 3 4
67.71 8.36 1.3839 -2 4 3 4
68.72 1.74 1.3660 2 2 3 4
70.15 6.93 1.3416 -7 1 2 4
70.58 10.55 1.3344 -5 3 3 4
71.96 2.67 1.3122 7 1 0 4
73.12 18.61 1.2942 0 6 2 4
73.32 5.23 1.2912 -3 1 4 4
73.73 1.35 1.2851 1 7 0 4
74.46 5.16 1.2742 -4 0 4 2
74.89 4.17 1.2679 4 6 0 4
75.54 1.32 1.2586 -2 2 4 4
76.33 5.28 1.2475 0 0 4 2
76.70 4.50 1.2425 3 5 2 4
76.82 1.36 1.2409 -3 5 3 4
78.70 4.55 1.2158 -4 6 2 4
80.09 5.05 1.1982 2 6 2 4
80.22 1.71 1.1966 3 7 0 4
80.24 1.69 1.1963 -3 7 1 4
82.07 2.22 1.1743 -8 2 1 4
82.92 2.47 1.1643 6 0 2 2
83.05 1.49 1.1629 -8 2 2 4
83.21 4.61 1.1611 -6 0 4 2
83.27 2.25 1.1604 8 0 0 2
84.49 1.60 1.1467 -7 3 3 4
85.78 1.99 1.1327 -3 7 2 4
86.85 2.23 1.1215 2 0 4 2
87.92 1.60 1.1106 7 3 1 4
89.51 2.83 1.0949 -8 2 3 4
89.62 3.27 1.0938 -2 8 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.