Ferrosilite
Smyth J R
American Mineralogist 58 (1973) 636-648
An orthopyroxene structure up to 850 C
T = 175 C
note temperature factors for O1b appear incorrect
_database_code_amcsd 0000363
CELL PARAMETERS: 18.3640 8.9880 5.2380 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 864.561
Density (g/cm3): 3.737
MAX. ABS. INTENSITY / VOLUME**2: 7.107407799
RIR: 0.619
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.79 13.13 6.4230 2 1 0 4
19.33 41.44 4.5910 4 0 0 2
20.21 5.02 4.3941 1 1 1 8
21.90 33.89 4.0593 2 1 1 8
24.46 3.53 3.6390 3 1 1 8
26.13 2.90 3.4107 0 2 1 4
26.58 10.60 3.3534 1 2 1 8
27.68 14.93 3.2229 4 1 1 8
27.78 100.00 3.2115 4 2 0 4
27.91 80.67 3.1973 2 2 1 8
29.99 66.43 2.9794 3 2 1 8
30.86 88.80 2.8973 6 1 0 4
31.37 41.49 2.8518 5 1 1 8
32.71 47.80 2.7379 4 2 1 8
34.60 11.59 2.5928 1 0 2 4
34.84 82.33 2.5750 1 3 1 8
35.41 18.10 2.5353 6 1 1 8
35.65 44.76 2.5186 2 0 2 4
35.89 49.21 2.5022 2 3 1 8
35.93 35.65 2.4993 5 2 1 8
36.05 1.78 2.4912 1 1 2 8
37.35 36.00 2.4079 3 0 2 4
37.58 1.51 2.3936 3 3 1 8
38.71 2.71 2.3259 3 1 2 8
39.25 2.07 2.2955 8 0 0 2
39.71 10.09 2.2697 7 1 1 8
39.84 4.75 2.2628 4 3 1 8
40.13 1.75 2.2470 0 4 0 2
40.15 4.56 2.2458 1 2 2 8
40.92 3.30 2.2053 4 1 2 8
42.21 3.52 2.1410 6 3 0 4
42.39 44.49 2.1324 5 0 2 4
42.60 39.16 2.1224 5 3 1 8
42.60 13.30 2.1224 3 2 2 8
43.52 11.74 2.0795 7 2 1 8
43.62 12.44 2.0748 5 1 2 8
44.13 9.07 2.0521 1 4 1 8
44.24 4.35 2.0472 8 1 1 8
44.31 7.76 2.0443 8 2 0 4
44.91 9.72 2.0182 4 4 0 4
45.00 11.30 2.0147 2 4 1 8
45.78 43.96 1.9818 6 3 1 8
46.41 1.26 1.9567 3 4 1 8
47.18 1.97 1.9265 5 2 2 8
47.76 10.53 1.9044 8 2 1 8
48.33 1.25 1.8833 4 4 1 8
49.16 18.89 1.8535 7 0 2 4
49.34 2.58 1.8469 7 3 1 8
50.14 4.60 1.8195 6 2 2 8
50.37 1.88 1.8118 4 3 2 8
50.72 5.38 1.8000 5 4 1 8
50.74 3.96 1.7992 10 1 0 4
51.83 20.44 1.7641 2 5 0 4
52.24 1.25 1.7510 9 2 1 8
52.69 1.49 1.7373 5 3 2 8
53.22 5.09 1.7210 8 3 1 8
53.48 12.48 1.7135 7 2 2 8
53.71 1.45 1.7065 1 1 3 8
53.88 1.81 1.7016 10 1 1 8
54.00 3.42 1.6981 1 4 2 8
54.10 5.17 1.6953 8 1 2 8
54.46 6.27 1.6849 2 1 3 8
54.75 4.60 1.6767 2 4 2 8
54.92 5.60 1.6718 2 5 1 8
55.69 4.05 1.6505 3 1 3 8
56.14 1.86 1.6382 3 5 1 8
56.55 22.58 1.6275 0 2 3 4
56.79 9.65 1.6211 1 2 3 8
57.23 12.70 1.6096 9 0 2 4
57.40 21.38 1.6053 9 3 1 8
58.23 2.90 1.5844 9 1 2 8
59.52 2.12 1.5532 5 1 3 8
59.65 9.56 1.5500 6 5 0 4
59.79 1.04 1.5468 5 4 2 8
59.95 4.53 1.5429 5 5 1 8
60.50 11.89 1.5303 12 0 0 2
61.16 4.83 1.5153 9 2 2 8
61.70 24.18 1.5035 1 3 3 8
61.85 29.40 1.5001 10 3 1 8
61.88 1.14 1.4995 11 2 1 8
61.95 25.48 1.4980 0 6 0 2
62.38 16.32 1.4886 2 3 3 8
62.41 1.17 1.4879 5 2 3 8
62.49 2.43 1.4863 6 5 1 8
62.91 1.87 1.4773 1 5 2 8
63.52 1.50 1.4647 3 3 3 8
64.71 12.14 1.4405 3 5 2 8
65.25 3.10 1.4298 7 4 2 8
65.41 2.46 1.4268 7 5 1 8
65.55 1.72 1.4241 4 6 0 4
66.41 14.85 1.4078 11 0 2 4
66.56 24.84 1.4049 11 3 1 8
67.03 1.74 1.3962 12 2 1 8
67.07 4.31 1.3954 5 3 3 8
67.32 5.67 1.3908 11 1 2 8
67.76 2.97 1.3830 7 2 3 8
68.00 4.84 1.3787 0 4 3 4
68.21 1.05 1.3748 1 4 3 8
68.24 3.39 1.3744 5 5 2 8
69.46 13.30 1.3531 6 3 3 8
69.74 1.11 1.3485 13 1 1 8
70.99 1.20 1.3277 8 2 3 8
71.44 1.30 1.3204 4 4 3 8
71.54 11.21 1.3189 12 3 1 8
71.95 1.23 1.3124 9 1 3 8
72.13 1.78 1.3095 0 0 4 2
72.24 3.49 1.3077 7 3 3 8
72.27 8.13 1.3073 12 1 2 8
72.34 1.12 1.3062 9 5 1 8
72.34 3.38 1.3062 1 0 4 4
72.41 1.37 1.3051 13 2 1 8
72.87 2.97 1.2980 14 1 0 4
73.23 3.28 1.2926 1 1 4 8
73.37 1.27 1.2904 7 5 2 8
73.57 10.21 1.2875 2 6 2 8
74.03 1.35 1.2805 3 0 4 4
74.62 9.89 1.2719 3 6 2 8
75.46 1.70 1.2599 14 1 1 8
75.50 8.82 1.2593 4 0 4 4
75.64 1.42 1.2572 0 2 4 4
75.83 2.72 1.2545 8 6 0 4
75.94 1.99 1.2530 10 1 3 8
76.51 3.51 1.2451 8 5 2 8
76.81 3.01 1.2410 2 5 3 8
77.85 1.79 1.2270 3 5 3 8
77.94 5.19 1.2258 5 6 2 8
78.23 1.09 1.2220 5 1 4 8
78.95 1.33 1.2126 4 2 4 8
80.02 7.60 1.1991 9 5 2 8
80.80 1.67 1.1895 5 2 4 8
82.33 1.25 1.1712 14 3 1 8
82.86 3.92 1.1651 7 6 2 8
84.39 2.87 1.1478 16 0 0 2
85.34 4.41 1.1374 8 0 4 4
87.50 1.87 1.1149 12 2 3 8
87.77 1.56 1.1121 16 2 0 4
88.07 1.13 1.1091 15 0 2 4
88.14 2.79 1.1083 11 5 2 8
88.72 1.85 1.1027 8 2 4 8
89.34 6.34 1.0966 9 6 2 8
89.89 1.39 1.0913 4 8 0 4
89.95 2.04 1.0907 2 8 1 8
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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.