Zincroselite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100192 Keller P, Lissner F, Schleid T European Journal of Mineralogy 16 (2004) 353-359 The crystal structures of zincroselite and gaitite: Two natural polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia Locality: Tsumeb, Namibia _database_code_amcsd 0007062 CELL PARAMETERS: 5.3020 12.9060 5.6513 90.000 107.673 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.56250 0.12160 0.22950 1.000 0.876 Zn 0.00000 0.00000 0.00000 0.860 1.121 Mg 0.00000 0.00000 0.00000 0.140 1.121 As 0.21853 0.12058 0.56501 1.000 0.734 O 0.28430 0.05400 0.83750 1.000 1.169 O 0.23960 0.03580 0.34230 1.000 1.003 O 0.94460 0.17340 0.49520 1.000 1.121 O 0.43940 0.20640 0.56960 1.000 1.129 O 0.81570 0.13930 0.96340 1.000 1.026 H 0.89800 0.19500 0.98600 1.000 1.398 H 0.73100 0.14800 0.84100 1.000 3.364 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 11 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 22.12634187 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.72 33.60 6.4530 0 2 0 17.56 2.32 5.0518 1 0 0 17.85 6.89 4.9694 0 1 1 18.86 29.69 4.7042 1 1 0 21.28 3.17 4.1755 -1 1 1 22.35 15.12 3.9778 1 2 0 24.44 24.49 3.6426 -1 2 1 26.52 68.01 3.3610 0 3 1 27.23 32.11 3.2753 1 3 0 27.65 33.92 3.2265 0 4 0 28.51 18.41 3.1311 1 1 1 28.99 41.22 3.0804 -1 3 1 30.98 100.00 2.8866 1 2 1 32.59 46.47 2.7472 -1 0 2 32.94 7.55 2.7192 1 4 0 33.28 14.11 2.6923 0 0 2 33.35 9.88 2.6870 -1 1 2 34.02 8.85 2.6356 0 1 2 35.05 37.23 2.5600 -2 1 1 35.54 1.75 2.5259 2 0 0 37.13 27.91 2.4211 -2 2 1 38.68 8.84 2.3276 0 5 1 38.90 1.90 2.3154 -1 3 2 39.49 1.05 2.2822 0 3 2 40.49 23.45 2.2280 -1 5 1 41.46 5.36 2.1782 2 3 0 42.00 1.69 2.1510 0 6 0 42.58 4.00 2.1234 1 0 2 43.25 22.57 2.0917 -1 4 2 43.34 3.25 2.0877 -2 2 2 44.56 5.00 2.0333 2 1 1 44.64 1.86 2.0301 -2 4 1 44.94 7.13 2.0170 1 2 2 45.61 11.05 1.9889 2 4 0 45.85 5.38 1.9791 1 6 0 46.28 2.41 1.9616 2 2 1 47.00 1.08 1.9335 -1 6 1 47.77 3.40 1.9041 1 3 2 48.39 2.61 1.8811 -1 5 2 48.88 5.09 1.8632 0 5 2 49.05 1.24 1.8573 2 3 1 49.66 2.76 1.8359 -2 5 1 50.08 10.50 1.8213 -2 4 2 50.54 4.14 1.8058 -1 2 3 51.02 23.89 1.7899 1 6 1 51.52 2.07 1.7737 1 4 2 52.25 2.30 1.7509 -3 1 1 52.86 1.09 1.7320 1 7 0 52.95 19.71 1.7292 0 2 3 53.14 5.96 1.7235 -1 3 3 53.78 4.51 1.7045 -3 2 1 54.15 1.60 1.6936 -1 6 2 54.61 2.77 1.6805 0 6 2 54.87 3.96 1.6731 -2 2 3 54.99 5.74 1.6698 3 1 0 55.33 11.40 1.6604 -2 6 1 55.47 5.07 1.6565 0 3 3 56.08 1.31 1.6398 1 5 2 56.17 2.36 1.6377 2 6 0 56.28 1.10 1.6347 -3 3 1 56.48 1.27 1.6294 3 2 0 56.81 1.37 1.6207 -3 2 2 57.07 1.54 1.6138 2 0 2 57.09 7.44 1.6133 0 8 0 57.34 3.50 1.6069 -2 3 3 57.56 1.48 1.6013 2 1 2 58.90 8.45 1.5681 3 3 0 60.07 1.51 1.5402 -2 6 2 60.15 4.78 1.5383 1 1 3 60.47 3.08 1.5309 -1 7 2 60.90 4.09 1.5212 0 7 2 60.94 2.79 1.5202 -1 5 3 61.35 1.27 1.5111 1 6 2 61.57 4.37 1.5062 -2 7 1 62.18 6.74 1.4928 3 4 0 62.35 2.54 1.4892 2 7 0 62.49 11.08 1.4862 -3 4 2 63.06 3.04 1.4742 3 1 1 63.09 2.21 1.4736 0 5 3 63.67 5.43 1.4615 -3 1 3 64.43 2.65 1.4462 3 2 1 64.57 15.02 1.4433 2 4 2 64.82 1.89 1.4384 -2 5 3 66.04 2.26 1.4148 -2 7 2 66.20 5.26 1.4118 -1 0 4 66.27 1.30 1.4103 3 5 0 67.25 2.76 1.3922 1 7 2 67.31 10.51 1.3911 -1 8 2 67.71 1.19 1.3838 0 8 2 68.03 5.91 1.3781 0 6 3 68.28 2.18 1.3736 -2 0 4 68.29 2.32 1.3735 2 7 1 68.58 2.08 1.3684 2 5 2 68.72 1.73 1.3659 -2 1 4 68.75 1.49 1.3655 -3 6 1 69.69 4.22 1.3492 -2 6 3 70.16 1.49 1.3414 -1 3 4 70.31 1.15 1.3389 0 1 4 72.07 1.95 1.3105 1 9 1 72.19 4.06 1.3085 -2 3 4 72.79 3.17 1.2993 -4 1 2 73.06 4.91 1.2951 -4 2 1 73.34 1.08 1.2909 2 6 2 73.83 1.66 1.2834 2 1 3 74.20 2.04 1.2780 -3 5 3 75.24 2.15 1.2629 4 0 0 75.66 4.24 1.2570 -2 9 1 76.18 1.64 1.2496 -4 3 2 76.64 1.23 1.2434 3 7 0 78.27 1.83 1.2215 3 6 1 78.97 1.64 1.2124 1 0 4 79.88 1.50 1.2008 -4 2 3 80.08 5.08 1.1983 1 10 1 81.86 2.23 1.1767 2 9 1 82.58 2.44 1.1682 -3 4 4 82.84 1.83 1.1653 -4 5 2 83.15 1.17 1.1617 -3 8 2 83.56 1.64 1.1571 -2 10 1 84.21 2.44 1.1498 -3 7 3 84.84 1.15 1.1429 1 11 0 85.02 2.38 1.1409 2 8 2 85.57 4.97 1.1349 1 4 4 87.51 2.86 1.1147 4 3 1 88.83 1.53 1.1015 -2 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.