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 lithium iron px after Redhammer et al. (2001)
with O3-O3-O3 angle = 180.8 and model oxygen radius = 1.287
_database_code_amcsd 0003491
CELL PARAMETERS: 9.6950 8.9190 5.1490 90.000 110.900 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 415.938
Density (g/cm3): 3.432
MAX. ABS. INTENSITY / VOLUME**2: 16.38270360
RIR: 1.554
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.94 42.57 6.3550 1 1 0 4
19.91 57.14 4.4595 0 2 0 2
20.17 21.39 4.4021 -1 1 1 4
25.88 37.60 3.4430 1 1 1 4
27.27 5.78 3.2703 0 2 1 4
29.56 100.00 3.0218 -2 2 1 4
30.49 1.42 2.9314 -3 1 1 4
31.28 66.26 2.8597 3 1 0 4
31.68 3.27 2.8247 1 3 0 4
35.00 14.14 2.5635 -1 3 1 4
36.48 7.78 2.4627 -1 1 2 4
37.39 35.82 2.4051 0 0 2 2
37.63 18.31 2.3903 2 2 1 4
38.72 5.06 2.3254 1 3 1 4
40.01 1.82 2.2536 -3 1 2 4
41.01 4.47 2.2011 -2 2 2 4
42.09 19.10 2.1470 -3 3 1 4
42.68 1.70 2.1183 3 3 0 4
42.70 7.58 2.1174 -4 2 1 4
42.71 1.54 2.1169 0 2 2 4
43.44 12.30 2.0834 1 1 2 4
44.08 8.63 2.0545 -4 0 2 2
46.33 24.96 1.9598 -2 4 1 4
48.03 5.11 1.8943 -5 1 1 4
48.80 3.76 1.8662 2 0 2 2
48.80 5.44 1.8660 -4 2 2 4
49.73 1.18 1.8335 -3 3 2 4
51.29 1.67 1.7812 3 3 1 4
52.22 6.59 1.7518 2 4 1 4
52.27 6.37 1.7502 1 5 0 4
52.65 1.05 1.7383 1 3 2 4
54.55 1.06 1.6824 -1 5 1 4
54.61 7.72 1.6806 4 2 1 4
56.25 2.67 1.6354 -4 4 1 4
56.26 3.42 1.6352 0 4 2 4
56.69 15.90 1.6238 -5 3 1 4
57.24 2.93 1.6094 1 5 1 4
57.54 15.38 1.6018 -2 2 3 4
57.83 10.26 1.5943 3 1 2 4
58.06 4.28 1.5887 4 4 0 4
59.57 3.98 1.5519 -6 0 2 2
60.26 2.57 1.5358 3 5 0 4
61.36 1.09 1.5109 -4 4 2 4
61.42 6.01 1.5095 6 0 0 2
61.70 1.17 1.5034 5 1 1 4
62.48 8.17 1.4865 0 6 0 2
63.10 2.60 1.4734 -5 1 3 4
63.27 2.67 1.4699 1 1 3 4
63.39 4.25 1.4674 -3 3 3 4
63.44 3.93 1.4662 -1 3 3 4
63.55 2.43 1.4640 -1 5 2 4
65.25 1.30 1.4298 6 2 0 4
65.96 4.09 1.4162 -3 5 2 4
66.43 3.64 1.4073 4 4 1 4
69.06 7.97 1.3601 -2 4 3 4
69.23 12.67 1.3571 5 3 1 4
70.00 8.98 1.3441 -7 1 2 4
70.55 2.76 1.3349 -5 3 3 4
70.71 2.85 1.3322 1 3 3 4
71.93 1.35 1.3126 -5 5 1 4
73.95 1.54 1.2818 -2 6 2 4
74.04 2.38 1.2805 7 1 0 4
74.56 1.14 1.2728 -3 1 4 4
75.07 4.91 1.2654 -4 0 4 2
75.13 9.49 1.2645 0 6 2 4
75.32 1.40 1.2617 1 7 0 4
76.91 2.60 1.2396 -1 1 4 4
78.59 1.18 1.2173 -4 2 4 4
79.60 1.72 1.2043 -4 6 2 4
79.99 3.32 1.1994 3 5 2 4
82.10 1.14 1.1739 3 7 0 4
82.90 1.14 1.1646 -6 0 4 2
83.06 2.46 1.1627 2 6 2 4
83.27 2.07 1.1604 -8 2 1 4
84.77 1.01 1.1437 1 5 3 4
87.21 1.66 1.1178 -3 7 2 4
87.75 1.36 1.1123 6 0 2 2
88.99 1.71 1.1000 -8 2 3 4
89.29 1.83 1.0971 4 2 3 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.