Stishovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080042 Ross N L, Shu J F, Hazen R M, Gasparik T American Mineralogist 75 (1990) 739-747 High-pressure crystal chemistry of stishovite P = 0, but in the diamond cell CELL PARAMETERS: 4.1780 4.1780 2.6660 90.000 90.000 90.000 SPACE GROUP: P4_2/mnm ATOM X Y Z OCCUPANCY ISO(B) Si 0.00000 0.00000 0.00000 1.000 0.150 O 0.30670 0.30670 0.00000 1.000 0.310 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 2 MAX. ABS. INTENSITY / VOLUME**2: 27.08213723 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 30.25 100.00 2.9543 1 1 0 40.12 24.59 2.2474 1 0 1 45.85 39.10 1.9792 1 1 1 48.74 14.96 1.8685 2 1 0 60.51 58.49 1.5301 2 1 1 62.92 19.33 1.4771 2 2 0 70.67 10.08 1.3330 0 0 2 71.39 6.30 1.3212 3 1 0 73.26 1.34 1.2921 2 2 1 77.30 26.66 1.2344 3 0 1 78.76 10.47 1.2150 1 1 2 81.27 2.02 1.1838 3 1 1 86.64 1.24 1.1237 2 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.