Cristobalite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061107 Downs R T, Palmer D C American Mineralogist 79 (1994) 9-14 The pressure behavior of alpha cristobalite P = room pressure CELL PARAMETERS: 4.9800 4.9800 6.9390 90.000 90.000 90.000 SPACE GROUP: P4_12_12 ATOM X Y Z OCCUPANCY ISO(B) Si 0.30028 0.30028 0.00000 1.000 0.767 O 0.23920 0.10440 0.17870 1.000 1.489 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 35.83210808 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 21.97 100.00 4.0459 1 0 1 28.42 9.04 3.1402 1 1 1 31.42 11.29 2.8467 1 0 2 36.07 14.31 2.4900 2 0 0 36.35 4.24 2.4714 1 1 2 42.64 2.83 2.1206 2 1 1 44.80 2.51 2.0229 2 0 2 47.00 5.27 1.9333 1 1 3 48.58 5.41 1.8742 2 1 2 54.12 2.69 1.6947 2 0 3 57.05 4.20 1.6144 3 0 1 57.44 1.25 1.6043 2 1 3 60.26 2.78 1.5358 3 1 1 61.97 3.18 1.4974 3 0 2 65.04 2.36 1.4340 3 1 2 65.59 1.53 1.4234 2 0 4 66.77 1.50 1.4010 2 2 3 68.57 2.54 1.3686 2 1 4 69.37 1.12 1.3546 3 2 1 70.43 2.02 1.3369 1 0 5 72.63 2.49 1.3017 3 1 3 73.85 2.44 1.2833 3 2 2 77.97 1.24 1.2254 4 0 1 79.33 1.61 1.2078 4 1 0 81.10 1.44 1.1859 3 2 3 81.77 1.62 1.1778 2 1 5 89.04 1.14 1.0995 4 2 1 89.12 1.80 1.0988 1 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.