Wurtzite-2H Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060181 Wyckoff R W G Crystal Structures 1 (1963) 85-237 Second edition. Interscience Publishers, New York, New York Note: wurtzite structure CELL PARAMETERS: 3.8390 3.8390 6.4020 90.000 90.000 120.000 SPACE GROUP: P6_3mc ATOM X Y Z OCCUPANCY ISO(B) Zn 0.33333 0.66667 0.00000 1.000 0.700 S 0.33333 0.66667 0.38500 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 45.73288213 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 26.82 97.35 3.3247 1 0 0 27.87 72.19 3.2010 0 0 2 30.29 100.00 2.9505 1 0 1 39.06 41.05 2.3059 1 0 2 47.36 70.64 1.9195 1 1 0 50.84 68.21 1.7959 1 0 3 55.26 10.47 1.6623 2 0 0 55.85 51.20 1.6462 1 1 2 57.26 14.90 1.6090 2 0 1 57.59 2.14 1.6005 0 0 4 63.01 8.39 1.4753 2 0 2 64.63 2.14 1.4421 1 0 4 72.01 20.33 1.3114 2 0 3 75.68 7.02 1.2566 2 1 0 77.39 10.32 1.2331 2 1 1 77.68 4.42 1.2292 1 1 4 80.36 16.58 1.1949 1 0 5 82.46 6.76 1.1697 2 1 2 88.16 8.89 1.1082 3 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.