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 sodium scandium px after Ohashi et al. (1994A)
with O3-O3-O3 angle = 173.7 and model oxygen radius = 1.328
_database_code_amcsd 0003499
CELL PARAMETERS: 9.9290 9.1890 5.3050 90.000 109.800 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 455.401
Density (g/cm3): 3.210
MAX. ABS. INTENSITY / VOLUME**2: 10.65472718
RIR: 1.081
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.52 22.17 6.5510 1 1 0 4
19.00 2.56 4.6710 2 0 0 2
19.32 32.90 4.5945 0 2 0 2
19.63 2.72 4.5217 -1 1 1 4
24.86 14.16 3.5813 1 1 1 4
26.37 20.38 3.3804 0 2 1 4
27.23 8.01 3.2755 2 2 0 4
28.83 100.00 3.0966 -2 2 1 4
29.84 16.58 2.9945 -3 1 1 4
30.31 71.32 2.9493 3 1 0 4
30.72 4.54 2.9105 1 3 0 4
33.98 32.56 2.6384 -1 3 1 4
34.54 1.41 2.5970 -2 0 2 2
35.31 5.53 2.5417 -1 1 2 4
35.99 49.54 2.4957 0 0 2 2
36.20 20.99 2.4814 2 2 1 4
37.37 6.09 2.4062 1 3 1 4
40.20 5.64 2.2434 3 1 1 4
40.99 28.56 2.2019 -3 3 1 4
41.35 2.40 2.1837 3 3 0 4
41.66 7.63 2.1681 -4 2 1 4
41.68 14.40 2.1672 1 1 2 4
43.16 13.96 2.0959 -4 0 2 2
43.36 4.27 2.0868 0 4 1 4
45.00 23.61 2.0145 -2 4 1 4
46.72 6.34 1.9444 2 0 2 2
46.84 1.72 1.9397 -5 1 1 4
47.69 2.71 1.9068 -4 2 2 4
48.43 1.90 1.8795 -3 3 2 4
49.37 2.21 1.8460 3 3 1 4
50.35 8.16 1.8121 2 4 1 4
50.62 5.91 1.8032 1 5 0 4
50.63 1.58 1.8029 1 3 2 4
51.00 3.43 1.7906 2 2 2 4
52.48 7.32 1.7435 4 2 1 4
53.24 2.14 1.7207 -2 4 2 4
54.27 2.42 1.6902 0 4 2 4
54.67 2.86 1.6787 -4 4 1 4
55.15 20.77 1.6654 -5 3 1 4
55.33 10.00 1.6605 3 1 2 4
55.71 17.69 1.6501 -2 2 3 4
56.16 2.44 1.6378 4 4 0 4
58.02 1.57 1.5896 -3 5 1 4
58.26 7.17 1.5837 -6 0 2 2
58.30 2.12 1.5827 3 5 0 4
59.36 8.90 1.5570 6 0 0 2
60.45 12.16 1.5315 0 6 0 2
60.59 1.13 1.5283 1 1 3 4
61.18 7.91 1.5150 -1 3 3 4
61.53 4.45 1.5072 -3 3 3 4
61.64 1.62 1.5048 -5 1 3 4
63.89 3.42 1.4570 4 4 1 4
64.01 4.96 1.4547 -3 5 2 4
64.79 1.30 1.4390 3 5 1 4
66.50 20.26 1.4060 5 3 1 4
66.76 9.29 1.4011 -2 4 3 4
67.76 3.62 1.3829 1 3 3 4
68.32 9.96 1.3730 -7 1 2 4
68.75 4.43 1.3654 -5 3 3 4
71.32 1.20 1.3224 -2 0 4 2
71.42 2.31 1.3207 7 1 0 4
71.52 1.87 1.3192 -2 6 2 4
72.11 2.70 1.3099 -3 1 4 4
72.40 14.79 1.3053 0 6 2 4
72.75 1.20 1.2999 1 7 0 4
72.84 5.56 1.2985 -4 0 4 2
73.63 1.37 1.2866 5 1 2 4
73.86 1.36 1.2831 -1 1 4 4
74.02 1.02 1.2807 4 6 0 4
76.31 1.84 1.2478 0 0 4 2
76.64 4.28 1.2433 3 5 2 4
77.14 1.74 1.2365 -4 6 2 4
79.18 1.03 1.2096 3 7 0 4
79.70 2.79 1.2031 2 6 2 4
80.65 2.08 1.1913 -8 2 1 4
80.75 2.32 1.1901 -6 0 4 2
83.59 1.52 1.1567 6 0 2 2
84.24 1.97 1.1495 -3 7 2 4
84.89 1.31 1.1424 4 2 3 4
86.73 2.33 1.1228 -8 2 3 4
87.48 2.12 1.1151 2 0 4 2
87.78 1.80 1.1120 -7 1 4 4
88.20 3.16 1.1078 -2 8 1 4
88.89 5.71 1.1009 -6 6 2 4
89.83 3.18 1.0918 6 6 0 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.