Wurtzite-4H Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130069 Frondel C, Palache C Science 107 (1948) 602-602 Three new polymorphs of zinc sulfide _database_code_amcsd 0015413 CELL PARAMETERS: 3.8490 3.8490 12.5750 90.000 90.000 120.000 SPACE GROUP: P6_3mc ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.00000 0.00000 1.000 0.700 Zn 0.33333 0.66667 0.25000 1.000 0.700 S 0.00000 0.00000 0.18750 1.000 1.000 S 0.33333 0.66667 0.43750 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 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 45.86376775 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 26.74 25.08 3.3333 1 0 0 27.69 100.00 3.2221 1 0 1 28.39 64.04 3.1437 0 0 4 30.35 82.29 2.9451 1 0 2 34.37 12.73 2.6090 1 0 3 39.40 9.36 2.2871 1 0 4 45.16 30.66 2.0077 1 0 5 47.23 72.94 1.9245 1 1 0 51.51 53.82 1.7743 1 0 6 55.10 2.70 1.6667 2 0 0 55.63 11.65 1.6522 2 0 1 56.03 47.52 1.6414 1 1 4 57.18 12.26 1.6110 2 0 2 58.35 5.61 1.5814 1 0 7 58.74 1.89 1.5719 0 0 8 59.71 2.40 1.5487 2 0 3 63.14 1.95 1.4725 2 0 4 67.41 7.75 1.3893 2 0 5 72.45 16.41 1.3045 2 0 6 73.49 2.49 1.2886 1 0 9 75.45 1.81 1.2599 2 1 0 75.90 7.91 1.2536 2 1 1 77.23 8.52 1.2353 2 1 2 78.24 2.02 1.2218 2 0 7 78.58 4.01 1.2174 1 1 8 79.43 1.74 1.2066 2 1 3 81.87 11.04 1.1766 1 0 10 82.48 1.58 1.1695 2 1 4 86.37 6.97 1.1264 2 1 5 87.87 9.17 1.1111 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.