Hemimorphite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040117 Hill R J, Gibbs G V, Ross F K, Williams J M Zeitschrift fur Kristallographie 146 (1977) 241-259 A neutron-diffraction study of hemimorphite CELL PARAMETERS: 8.3691 10.7208 5.1156 90.000 90.000 90.000 SPACE GROUP: Imm2 ATOM X Y Z OCCUPANCY ISO(B) Zn 0.20470 0.16130 0.00000 1.000 0.808 Si 0.00000 0.14650 0.50760 1.000 0.571 O 0.16020 0.20550 0.63620 1.000 0.998 O 0.00000 0.16690 0.19380 1.000 0.950 O 0.30500 0.00000 0.04100 1.000 1.688 O 0.00000 0.00000 0.59120 1.000 1.090 O 0.50000 0.00000 0.51950 1.000 5.781 H 0.37400 0.00000 0.19040 1.000 4.711 H 0.42560 0.00000 0.64320 1.000 10.150 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 9 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 23.98916700 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.42 61.54 6.5970 1 1 0 16.54 46.51 5.3604 0 2 0 19.22 37.81 4.6169 0 1 1 21.23 34.36 4.1845 2 0 0 27.03 15.50 3.2985 2 2 0 27.13 61.32 3.2865 1 3 0 28.79 100.00 3.1005 2 1 1 30.51 42.02 2.9296 0 3 1 33.18 1.83 2.6998 3 1 0 33.43 7.90 2.6802 0 4 0 35.08 47.89 2.5578 0 0 2 36.69 25.40 2.4492 3 0 1 37.47 56.37 2.3999 2 3 1 37.72 3.46 2.3848 1 1 2 39.02 3.37 2.3085 0 2 2 39.45 1.71 2.2840 1 4 1 39.95 2.67 2.2569 2 4 0 40.49 10.40 2.2277 3 2 1 41.05 18.03 2.1990 3 3 0 41.37 17.50 2.1824 2 0 2 43.24 7.10 2.0923 4 0 0 43.57 1.29 2.0771 1 5 0 44.84 6.19 2.0213 2 2 2 44.91 10.18 2.0185 1 3 2 45.89 2.02 1.9775 0 5 1 49.06 2.69 1.8568 3 1 2 49.24 7.88 1.8504 0 4 2 50.48 19.88 1.8080 3 4 1 51.09 4.21 1.7879 2 5 1 51.12 17.53 1.7868 0 6 0 53.84 5.10 1.7026 4 3 1 53.93 1.52 1.7000 3 5 0 54.20 4.02 1.6923 2 4 2 54.49 2.86 1.6840 0 1 3 55.07 12.41 1.6675 3 3 2 55.57 5.29 1.6538 5 1 0 55.74 2.46 1.6493 4 4 0 55.96 4.20 1.6433 2 6 0 56.85 4.72 1.6195 4 0 2 57.97 5.17 1.5908 5 0 1 59.14 10.29 1.5623 2 1 3 60.12 6.43 1.5390 0 3 3 60.73 3.96 1.5251 5 2 1 61.14 17.25 1.5158 5 3 0 61.56 1.01 1.5065 1 7 0 63.40 3.36 1.4672 0 7 1 63.51 11.20 1.4648 0 6 2 63.99 9.56 1.4549 3 0 3 64.52 18.10 1.4444 2 3 3 64.56 9.45 1.4435 3 6 1 66.60 5.34 1.4041 3 2 3 67.10 1.66 1.3948 6 0 0 67.44 3.75 1.3888 5 1 2 67.58 1.49 1.3861 4 4 2 67.67 11.23 1.3846 2 7 1 67.78 7.25 1.3825 2 6 2 68.60 3.70 1.3680 5 4 1 69.13 3.02 1.3587 4 6 0 70.57 1.52 1.3346 0 5 3 72.48 13.99 1.3040 5 3 2 72.87 1.25 1.2981 1 7 2 74.14 2.73 1.2789 0 0 4 74.16 4.44 1.2787 3 4 3 74.65 1.63 1.2715 2 5 3 78.15 1.34 1.2231 2 0 4 79.95 2.25 1.1999 4 6 2 80.39 1.91 1.1945 5 0 3 80.61 1.64 1.1918 1 3 4 80.86 1.10 1.1887 3 7 2 80.91 3.87 1.1882 5 6 1 82.79 1.07 1.1659 5 2 3 82.93 4.20 1.1642 7 0 1 83.29 2.80 1.1602 0 9 1 83.81 2.22 1.1542 0 4 4 85.32 1.69 1.1377 7 2 1 85.68 1.05 1.1338 7 3 0 86.04 2.04 1.1299 5 7 0 86.21 4.78 1.1282 3 6 3 87.19 3.48 1.1180 2 9 1 89.05 3.64 1.0994 2 7 3 89.90 1.38 1.0912 4 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.