Willemite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100109 Klaska K-H, Eck J C, Pohl D Acta Crystallographica B34 (1978) 3324-3325 New investigation of willemite Locality: Synthetic Note: Anisotropic displacement parameters are from ICSD _database_code_amcsd 0009645 CELL PARAMETERS: 13.9790 13.9790 9.3450 90.000 90.000 120.000 SPACE GROUP: R-3 ATOM X Y Z OCCUPANCY ISO(B) Zn 0.98257 0.19167 0.41535 1.000 0.514 Zn 0.97694 0.19197 0.08140 1.000 0.521 Si 0.98393 0.19557 0.74940 1.000 0.220 O 0.11040 0.21640 0.75050 1.000 0.516 O -0.00420 0.31780 0.74900 1.000 0.694 O 0.91640 0.12560 0.89260 1.000 0.577 O 0.92270 0.12830 0.60360 1.000 0.661 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 37.91851745 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.66 22.01 6.9895 1 1 0 17.46 1.44 5.0804 0 2 1 20.37 4.25 4.3591 0 1 2 21.62 3.59 4.1095 2 1 1 21.62 9.29 4.1095 3 -1 1 22.03 28.29 4.0354 3 0 0 25.49 73.52 3.4948 2 2 0 27.28 2.45 3.2692 1 2 2 27.28 1.89 3.2692 -1 3 2 28.24 2.05 3.1599 -1 4 1 28.24 3.02 3.1599 1 3 1 31.44 44.57 2.8452 1 1 3 31.44 43.50 2.8452 2 -1 3 33.93 2.39 2.6418 1 4 0 33.93 97.61 2.6418 4 1 0 35.33 1.86 2.5402 0 4 2 38.72 28.36 2.3254 2 2 3 38.72 25.89 2.3254 4 -2 3 39.28 2.62 2.2939 1 0 4 40.60 2.05 2.2222 2 4 1 42.03 5.54 2.1498 5 0 2 43.49 1.87 2.0807 3 -1 4 44.07 1.88 2.0548 6 -2 2 44.93 8.68 2.0177 6 0 0 44.99 1.22 2.0148 -1 5 3 46.04 2.91 1.9713 -1 6 2 46.66 1.54 1.9466 7 -3 1 46.87 10.17 1.9385 2 5 0 48.81 23.10 1.8657 6 -3 3 48.81 20.92 1.8657 3 3 3 49.80 1.76 1.8311 3 4 2 50.38 1.64 1.8112 1 6 1 52.92 2.47 1.7302 1 2 5 54.16 3.47 1.6935 0 6 3 54.16 4.23 1.6935 6 0 3 54.59 1.80 1.6812 0 5 4 55.62 1.36 1.6524 8 -2 1 55.62 1.64 1.6524 6 2 1 55.86 1.76 1.6459 -2 7 3 55.86 2.65 1.6459 7 -2 3 55.86 2.28 1.6459 2 5 3 55.86 1.81 1.6459 5 2 3 56.34 1.35 1.6330 4 -1 5 57.47 8.78 1.6035 1 7 0 57.47 5.23 1.6035 7 1 0 57.94 1.75 1.5917 5 1 4 59.34 13.45 1.5575 0 0 6 60.72 4.82 1.5252 3 6 0 60.72 4.09 1.5252 6 3 0 60.78 1.16 1.5240 8 -4 3 60.78 1.09 1.5240 4 4 3 64.09 1.09 1.4530 3 0 6 65.47 1.93 1.4257 -1 8 3 65.47 17.24 1.4257 8 -1 3 65.47 18.35 1.4257 1 7 3 65.47 2.10 1.4257 7 1 3 65.63 3.15 1.4226 2 2 6 65.63 4.20 1.4226 4 -2 6 66.94 6.53 1.3979 5 5 0 68.50 9.94 1.3698 -3 9 3 68.50 10.26 1.3698 6 3 3 69.94 4.74 1.3451 9 0 0 70.14 9.32 1.3417 4 1 6 70.14 9.22 1.3417 -1 5 6 75.77 1.76 1.2554 7 4 0 77.41 1.57 1.2329 0 6 6 77.41 1.57 1.2329 6 0 6 78.68 1.35 1.2161 2 8 3 78.68 1.52 1.2161 10 -2 3 78.83 1.42 1.2142 7 -2 6 78.83 1.73 1.2142 2 5 6 82.92 3.31 1.1644 -4 11 3 82.92 3.01 1.1644 7 4 3 84.27 4.01 1.1491 10 1 0 87.26 2.55 1.1172 8 -1 6 87.26 1.81 1.1172 1 7 6 87.26 1.24 1.1172 -1 8 6 87.26 1.10 1.1172 7 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.