Selenium Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050656 Wyckoff R W G Crystal Structures 1 (1963) 7-83 Second edition. Interscience Publishers, New York, New York CELL PARAMETERS: 4.3670 4.3670 4.9680 90.000 90.000 120.000 SPACE GROUP: P3_221 ATOM X Y Z OCCUPANCY ISO(B) Se 0.21700 0.00000 0.16667 1.000 0.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 135.0673687 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 23.52 52.45 3.7819 1 0 0 29.69 88.42 3.0092 0 1 1 29.69 11.58 3.0092 1 0 1 41.35 14.74 2.1835 1 1 0 43.59 3.82 2.0762 0 1 2 43.59 29.15 2.0762 1 0 2 45.37 26.35 1.9989 1 1 1 48.12 2.39 1.8910 2 0 0 51.73 18.82 1.7673 0 2 1 51.73 4.09 1.7673 2 0 1 55.49 6.60 1.6560 0 0 3 56.08 13.45 1.6400 1 1 2 61.09 3.20 1.5169 0 1 3 61.09 3.20 1.5169 1 0 3 61.64 10.66 1.5046 2 0 2 61.64 2.31 1.5046 0 2 2 65.27 16.79 1.4294 2 1 0 68.28 3.85 1.3737 2 1 1 68.28 1.78 1.3737 1 2 1 71.50 5.15 1.3195 1 1 3 76.96 2.65 1.2389 1 2 2 76.96 1.22 1.2389 2 1 2 78.23 6.56 1.2219 3 0 1 81.59 4.03 1.1800 0 1 4 86.59 4.98 1.1242 0 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.