Clinohypersthene
Shimobayashi N, Miyake A, Kitamura M, Miura E
Physics and Chemistry of Minerals 28 (2001) 591-599
Molecular dynamics simulations of the phase transition
between low-temperature and high-temperature clinoenstatites
Sample: from Smyth and Burnham, 1972
_database_code_amcsd 0008601
CELL PARAMETERS: 9.8690 9.0590 5.3340 90.000 109.910 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 448.374
Density (g/cm3): 2.974
MAX. ABS. INTENSITY / VOLUME**2: 10.65515554
RIR: 1.167
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.13 2.71 4.6396 2 0 0 2
19.60 9.98 4.5295 0 2 0 2
24.90 3.38 3.5761 1 1 1 4
26.52 37.69 3.3615 0 2 1 4
27.52 37.26 3.2411 2 2 0 4
29.03 100.00 3.0760 -2 2 1 4
29.98 19.89 2.9806 -3 1 1 4
30.54 45.61 2.9271 3 1 0 4
31.15 2.94 2.8714 1 3 0 4
34.31 19.26 2.6135 -1 3 1 4
34.38 5.20 2.6087 -2 0 2 2
35.81 29.95 2.5076 0 0 2 2
36.41 15.52 2.4676 2 2 1 4
40.37 4.89 2.2340 3 1 1 4
41.15 1.58 2.1938 0 2 2 4
41.38 19.26 2.1819 -3 3 1 4
41.59 7.70 2.1713 1 1 2 4
41.81 4.51 2.1607 3 3 0 4
41.97 3.60 2.1527 -4 2 1 4
43.18 9.93 2.0953 -4 0 2 2
43.86 9.39 2.0641 0 4 1 4
44.52 1.20 2.0352 2 4 0 4
45.53 8.37 1.9924 -2 4 1 4
46.67 4.96 1.9461 2 0 2 2
48.64 1.26 1.8718 -3 3 2 4
50.18 4.95 1.8181 5 1 0 4
50.80 1.44 1.7973 1 3 2 4
50.88 3.80 1.7947 2 4 1 4
51.08 7.21 1.7881 2 2 2 4
51.38 8.66 1.7782 1 5 0 4
52.82 2.56 1.7333 4 2 1 4
53.59 4.16 1.7102 -2 4 2 4
53.66 1.63 1.7079 -3 1 3 4
54.60 3.57 1.6807 0 4 2 4
55.40 3.82 1.6585 3 1 2 4
55.54 17.12 1.6547 -2 2 3 4
55.65 17.59 1.6516 -5 3 1 4
56.81 1.57 1.6205 4 4 0 4
58.48 3.14 1.5782 -6 0 2 2
58.76 4.59 1.5713 -3 5 1 4
59.80 4.12 1.5465 6 0 0 2
61.14 8.58 1.5158 -1 3 3 4
61.41 7.90 1.5098 0 6 0 2
61.53 1.91 1.5070 -3 3 3 4
62.30 3.55 1.4903 -6 2 2 4
63.20 2.52 1.4713 4 0 2 2
64.60 3.63 1.4428 -3 5 2 4
65.53 1.79 1.4245 3 5 1 4
66.92 3.35 1.3983 -2 4 3 4
67.03 19.48 1.3962 5 3 1 4
67.77 2.77 1.3827 1 3 3 4
68.68 6.36 1.3666 -7 1 2 4
68.89 2.50 1.3630 -5 3 3 4
70.86 1.20 1.3298 -2 0 4 2
71.71 2.02 1.3162 -3 1 4 4
72.00 2.19 1.3116 7 1 0 4
72.31 3.36 1.3067 -2 6 2 4
72.46 6.17 1.3043 -4 0 4 2
73.17 10.21 1.2935 0 6 2 4
73.90 2.09 1.2825 5 1 2 4
74.34 1.95 1.2759 -2 2 4 4
74.47 1.55 1.2740 -7 3 1 4
75.88 1.49 1.2538 0 0 4 2
77.28 6.13 1.2347 3 5 2 4
78.00 1.77 1.2249 -4 6 2 4
80.54 1.13 1.1927 -6 0 4 2
87.09 1.20 1.1190 -8 2 3 4
87.70 1.54 1.1128 -7 1 4 4
89.08 1.75 1.0991 -7 -5 2 4
89.69 4.27 1.0932 -2 8 1 4
89.92 1.35 1.0910 -6 -6 2 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.