Cristobalite II
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 4.9 GPa
Note z-coordinate of O2 is corrected
Locality: Ellora Caves, India
_database_code_amcsd 0018349
CELL PARAMETERS: 8.0110 4.5440 8.8900 90.000 121.000 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 277.391
Density (g/cm3): 2.877
MAX. ABS. INTENSITY / VOLUME**2: 8.525421738
RIR: 0.965
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
22.79 4.91 3.9028 0 1 1 4
23.05 37.83 3.8583 -1 1 1 4
23.35 100.00 3.8101 0 0 2 2
23.48 67.17 3.7894 1 1 0 4
24.37 75.64 3.6521 -2 0 2 2
28.10 14.41 3.1758 -1 1 2 4
29.15 16.82 3.0636 1 1 1 4
29.78 78.18 3.0000 -2 1 1 4
30.62 41.42 2.9196 0 1 2 4
31.43 7.37 2.8467 -2 1 2 4
32.21 20.22 2.7792 1 0 2 2
32.69 27.98 2.7393 2 1 0 4
33.73 12.33 2.6571 -3 0 2 2
36.56 7.76 2.4576 -1 1 3 4
37.08 5.40 2.4244 -2 1 3 4
37.95 2.61 2.3709 1 1 2 4
39.26 10.41 2.2950 2 1 1 4
39.67 2.56 2.2720 0 2 0 2
40.07 8.82 2.2504 -3 1 1 4
40.64 16.46 2.2201 -2 0 4 2
40.69 3.86 2.2172 0 1 3 4
41.47 10.55 2.1773 0 2 1 4
41.63 6.59 2.1695 -1 2 1 4
41.88 2.68 2.1570 1 2 0 4
42.10 1.02 2.1461 -3 1 3 4
42.19 2.47 2.1417 -1 0 4 2
44.81 13.70 2.0226 -1 2 2 4
45.41 2.02 1.9971 -4 0 2 2
45.95 2.02 1.9749 -2 2 1 4
46.54 1.25 1.9514 0 2 2 4
46.90 13.13 1.9373 -1 1 4 4
47.11 1.37 1.9292 -2 2 2 4
48.02 1.25 1.8945 -3 1 4 4
48.49 2.88 1.8775 1 1 3 4
49.88 12.40 1.8283 -4 1 2 4
50.53 4.65 1.8062 -4 1 3 4
51.33 1.56 1.7801 3 1 1 4
51.99 1.78 1.7590 1 2 2 4
52.05 4.93 1.7569 0 1 4 4
53.01 2.49 1.7274 2 2 1 4
53.37 5.47 1.7167 4 0 0 2
54.13 1.05 1.6944 -4 1 4 4
55.30 2.37 1.6611 -3 2 3 4
56.38 4.09 1.6319 1 0 4 2
56.57 1.36 1.6268 3 0 2 2
57.12 9.41 1.6125 3 2 0 4
58.87 2.47 1.5687 2 1 3 4
59.32 3.28 1.5579 -5 0 4 2
60.26 5.16 1.5359 -3 2 4 4
60.31 5.73 1.5347 -4 1 5 4
60.43 3.76 1.5318 2 2 2 4
61.38 2.17 1.5104 -5 1 3 4
63.75 4.91 1.4598 0 2 4 4
63.93 1.60 1.4563 -4 2 1 4
65.59 7.20 1.4233 -4 2 4 4
65.62 3.89 1.4228 1 3 1 4
65.96 3.04 1.4163 -2 3 1 4
66.43 2.61 1.4073 -3 1 6 4
66.87 1.51 1.3991 -2 3 2 4
67.33 1.81 1.3908 -2 1 6 4
67.54 1.88 1.3870 -3 2 5 4
67.60 2.80 1.3858 2 3 0 4
67.77 10.45 1.3827 -1 0 6 2
69.86 1.75 1.3464 2 2 3 4
70.29 5.41 1.3392 -2 3 3 4
70.44 2.88 1.3368 -5 0 6 2
70.85 1.77 1.3300 1 3 2 4
70.88 1.94 1.3296 4 0 2 2
70.94 3.53 1.3285 -6 0 4 2
71.13 2.12 1.3254 1 2 4 4
71.30 9.18 1.3227 3 2 2 4
71.73 2.30 1.3159 -3 3 2 4
71.81 2.57 1.3146 5 1 0 4
72.26 3.28 1.3075 -3 3 1 4
73.04 2.72 1.2954 -5 2 2 4
73.06 4.15 1.2952 -6 0 2 2
73.23 2.88 1.2925 1 1 5 4
73.66 2.86 1.2861 -3 3 3 4
74.40 1.86 1.2752 -6 1 4 4
75.22 1.38 1.2631 3 3 0 4
76.07 1.34 1.2512 -2 3 4 4
76.99 1.72 1.2386 -6 1 5 4
78.33 3.55 1.2207 1 3 3 4
78.58 1.09 1.2174 -6 0 6 2
78.99 2.87 1.2122 -4 2 6 4
79.94 3.15 1.2001 5 1 1 4
81.93 2.12 1.1759 -6 1 6 4
81.98 2.57 1.1753 5 2 0 4
82.79 2.38 1.1658 -4 3 4 4
83.84 1.53 1.1539 3 1 4 4
84.07 2.65 1.1513 -2 3 5 4
86.76 1.03 1.1224 2 3 3 4
87.71 1.15 1.1127 1 1 6 4
88.01 1.02 1.1097 -4 3 5 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.