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 ferrosilite at 1.87 GPa after Hugh-Jones et al. (1995)
with O3-O3-O3 angle = 138.3 and model oxygen radius = 1.366
_database_code_amcsd 0003482
CELL PARAMETERS: 9.5520 8.8440 5.1060 90.000 103.800 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 418.893
Density (g/cm3): 4.183
MAX. ABS. INTENSITY / VOLUME**2: 18.27482710
RIR: 1.422
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.83 40.15 6.4010 1 1 0 4
19.14 49.10 4.6381 2 0 0 2
24.45 3.40 3.6406 1 1 1 4
27.02 1.84 3.3003 0 2 1 4
27.88 21.49 3.2005 2 2 0 4
30.63 61.11 2.9188 3 1 0 4
30.65 40.44 2.9166 -2 2 1 4
31.88 23.32 2.8068 -3 1 1 4
35.57 100.00 2.5239 -1 3 1 4
35.81 36.55 2.5075 2 2 1 4
36.23 49.94 2.4793 0 0 2 2
36.65 3.89 2.4519 -1 1 2 4
37.93 5.45 2.3720 1 3 1 4
38.83 1.09 2.3191 4 0 0 2
39.18 10.90 2.2992 3 1 1 4
41.15 14.62 2.1935 1 1 2 4
41.77 1.45 2.1626 0 2 2 4
42.18 13.57 2.1426 -3 1 2 4
42.28 4.14 2.1377 -2 2 2 4
43.32 48.44 2.0887 -3 3 1 4
44.01 10.66 2.0573 -4 2 1 4
44.09 2.74 2.0538 4 2 0 4
45.41 20.05 1.9974 2 0 2 2
45.44 4.65 1.9958 2 4 0 4
46.82 12.76 1.9402 -4 0 2 2
47.32 8.31 1.9210 -2 4 1 4
49.19 7.91 1.8524 3 3 1 4
50.11 4.14 1.8203 2 2 2 4
51.05 14.24 1.7890 2 4 1 4
51.64 3.36 1.7699 4 2 1 4
52.68 2.49 1.7375 1 5 0 4
53.62 5.63 1.7092 3 1 2 4
56.93 1.08 1.6173 1 5 1 4
57.53 3.86 1.6019 -4 4 1 4
57.56 4.31 1.6011 -3 1 3 4
57.91 19.90 1.5923 -5 3 1 4
58.48 7.31 1.5783 -2 2 3 4
59.82 10.81 1.5460 6 0 0 2
60.28 5.01 1.5353 3 5 0 4
60.86 7.12 1.5222 4 0 2 2
61.03 1.65 1.5183 -3 5 1 4
62.68 3.38 1.4821 2 4 2 4
62.79 17.37 1.4799 -6 0 2 2
63.07 18.19 1.4740 0 6 0 2
63.17 29.91 1.4719 -1 3 3 4
64.01 1.23 1.4545 4 4 1 4
64.47 3.22 1.4454 -4 2 3 4
65.49 1.14 1.4252 -3 3 3 4
65.77 2.25 1.4199 3 5 1 4
65.93 32.51 1.4169 5 3 1 4
66.57 2.41 1.4048 2 6 0 4
67.15 2.31 1.3939 1 5 2 4
67.83 5.94 1.3817 1 3 3 4
67.89 3.47 1.3806 -3 5 2 4
67.98 2.66 1.3790 2 2 3 4
70.09 4.03 1.3425 -2 4 3 4
72.06 2.14 1.3106 7 1 0 4
73.31 2.31 1.2913 -7 1 2 4
74.34 2.36 1.2759 -2 0 4 2
74.47 3.94 1.2741 -5 3 3 4
74.96 10.40 1.2670 0 6 2 4
75.60 2.21 1.2578 -4 4 3 4
76.41 3.18 1.2465 -3 1 4 4
76.59 1.16 1.2440 4 6 0 4
76.80 2.77 1.2412 3 5 2 4
76.91 2.36 1.2397 0 0 4 2
78.30 2.01 1.2210 -4 0 4 2
78.90 1.58 1.2133 2 4 3 4
80.12 1.99 1.1979 -3 5 3 4
81.08 3.20 1.1860 2 6 2 4
81.48 1.42 1.1813 1 1 4 4
81.84 1.04 1.1770 -4 2 4 4
82.12 2.66 1.1737 -4 6 2 4
82.47 2.37 1.1696 3 7 0 4
83.13 1.73 1.1620 -3 7 1 4
83.34 1.73 1.1595 8 0 0 2
83.95 2.11 1.1527 -8 2 1 4
86.62 1.22 1.1239 -8 2 2 4
88.56 2.85 1.1042 -6 0 4 2
89.32 1.38 1.0968 2 2 4 4
89.33 1.51 1.0966 -3 7 2 4
89.42 3.46 1.0958 -7 3 3 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.