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 scandium px after Hawthorne and Grundy (1977)
with O3-O3-O3 angle = 175.6 and model oxygen radius = 1.313
_database_code_amcsd 0003494
CELL PARAMETERS: 9.8380 9.0920 5.2490 90.000 110.100 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 440.912
Density (g/cm3): 3.074
MAX. ABS. INTENSITY / VOLUME**2: 11.35039640
RIR: 1.202
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.66 21.68 6.4803 1 1 0 4
19.53 63.14 4.5460 0 2 0 2
19.83 21.49 4.4777 -1 1 1 4
25.20 37.50 3.5342 1 1 1 4
26.68 19.36 3.3418 0 2 1 4
29.10 100.00 3.0683 -2 2 1 4
30.10 4.64 2.9693 -3 1 1 4
30.65 69.06 2.9168 3 1 0 4
31.06 4.44 2.8797 1 3 0 4
34.34 14.85 2.6113 -1 3 1 4
34.88 4.61 2.5724 -2 0 2 2
35.72 5.32 2.5138 -1 1 2 4
36.45 36.22 2.4647 0 0 2 2
36.68 19.28 2.4500 2 2 1 4
37.83 1.57 2.3780 1 3 1 4
39.00 3.21 2.3097 4 0 0 2
40.28 3.44 2.2388 -2 2 2 4
40.75 1.34 2.2142 3 1 1 4
41.40 17.06 2.1812 -3 3 1 4
41.82 2.33 2.1601 3 3 0 4
42.05 6.98 2.1485 -4 2 1 4
42.26 13.22 2.1387 1 1 2 4
43.53 8.51 2.0791 -4 0 2 2
43.86 3.99 2.0641 0 4 1 4
45.48 23.83 1.9945 -2 4 1 4
47.29 4.85 1.9221 -5 1 1 4
47.40 3.25 1.9179 2 0 2 2
48.12 6.04 1.8908 -4 2 2 4
48.91 1.81 1.8622 -3 3 2 4
50.99 7.31 1.7910 2 4 1 4
51.20 5.72 1.7842 1 5 0 4
51.31 1.53 1.7806 1 3 2 4
51.73 1.16 1.7671 2 2 2 4
53.20 7.13 1.7217 4 2 1 4
53.44 1.36 1.7145 -1 5 1 4
54.95 4.49 1.6709 0 4 2 4
55.25 2.54 1.6625 -4 4 1 4
55.72 15.22 1.6497 -5 3 1 4
55.96 2.57 1.6431 1 5 1 4
56.15 9.93 1.6380 3 1 2 4
56.35 16.99 1.6328 -2 2 3 4
56.83 4.66 1.6201 4 4 0 4
58.78 4.59 1.5708 -6 0 2 2
58.99 2.02 1.5658 3 5 0 4
60.08 1.12 1.5401 5 1 1 4
60.09 6.36 1.5398 6 0 0 2
61.16 9.16 1.5153 0 6 0 2
61.47 2.56 1.5084 1 1 3 4
61.95 4.55 1.4979 -1 3 3 4
62.17 1.13 1.4931 -1 5 2 4
62.20 2.77 1.4926 -3 3 3 4
62.21 3.00 1.4924 -5 1 3 4
63.82 1.24 1.4584 6 2 0 4
64.71 4.59 1.4405 -3 5 2 4
64.76 3.33 1.4396 4 4 1 4
67.43 15.37 1.3889 5 3 1 4
67.57 8.84 1.3864 -2 4 3 4
68.74 2.19 1.3656 1 3 3 4
68.98 9.74 1.3615 -7 1 2 4
69.44 2.68 1.3536 -5 3 3 4
70.54 1.09 1.3351 -5 5 1 4
72.24 1.79 1.3079 -2 0 4 2
72.35 2.23 1.3061 7 1 0 4
72.38 3.06 1.3056 -2 6 2 4
72.97 2.07 1.2965 -3 1 4 4
73.34 11.44 1.2909 0 6 2 4
73.65 4.61 1.2862 -4 0 4 2
73.65 1.17 1.2862 1 7 0 4
74.64 1.01 1.2716 -7 3 1 4
74.79 1.26 1.2695 5 1 2 4
74.89 1.65 1.2680 -1 1 4 4
77.45 1.06 1.2323 0 0 4 2
77.77 3.94 1.2281 3 5 2 4
78.03 1.08 1.2246 -4 6 2 4
80.84 1.96 1.1890 2 6 2 4
81.57 1.52 1.1801 -6 0 4 2
81.61 2.00 1.1797 -8 2 1 4
83.04 1.22 1.1630 -5 5 3 4
84.97 1.13 1.1415 6 0 2 2
85.29 1.85 1.1379 -3 7 2 4
86.32 1.40 1.1270 4 2 3 4
87.62 2.09 1.1136 -8 2 3 4
88.27 1.09 1.1071 6 2 2 4
88.69 1.98 1.1029 -7 1 4 4
88.96 1.75 1.1002 2 0 4 2
89.37 2.94 1.0963 -2 8 1 4
89.96 2.19 1.0906 -6 -6 2 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.