Leiteite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040011 Ghose S, Sen Gupta P K, Schlemper E O American Mineralogist 72 (1987) 629-632 Leiteite, ZnAs2O4: A novel type of tetrahedral layer structure with arsenite chains CELL PARAMETERS: 4.5443 5.0143 17.6107 90.000 90.751 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) As 0.99200 0.21360 0.90560 1.000 0.990 As 0.48930 0.77510 0.90800 1.000 0.947 Zn 0.25470 0.48690 0.75110 1.000 1.100 O 0.60780 0.11900 0.91110 1.000 1.451 O 0.10650 -0.13000 0.91530 1.000 1.045 O 0.00700 0.23760 0.80720 1.000 1.765 O 0.50900 -0.26160 0.81080 1.000 1.589 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 39.67756520 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.05 9.31 8.8046 0 0 2 18.40 24.47 4.8226 0 1 1 20.17 13.56 4.4023 0 0 4 26.47 1.28 3.3671 1 1 0 26.91 25.39 3.3131 -1 1 1 27.01 18.97 3.3013 1 1 1 28.28 62.52 3.1552 -1 1 2 28.47 100.00 3.1348 1 1 2 30.46 81.38 2.9349 0 0 6 30.48 16.84 2.9330 -1 1 3 30.74 13.72 2.9085 1 1 3 31.03 8.47 2.8820 0 1 5 33.34 15.96 2.6871 -1 1 4 33.67 3.81 2.6620 1 1 4 35.82 10.72 2.5071 0 2 0 36.75 8.42 2.4456 -1 1 5 37.12 9.29 2.4220 1 1 5 37.29 18.41 2.4113 0 2 2 39.67 10.56 2.2720 2 0 0 40.10 1.35 2.2485 0 1 7 40.89 6.49 2.2069 -2 0 2 40.99 2.74 2.2018 1 1 6 41.16 9.95 2.1930 2 0 2 41.45 35.34 2.1786 0 2 4 41.49 1.97 2.1766 1 2 1 43.95 1.29 2.0604 -1 2 3 44.12 1.87 2.0525 2 1 1 44.64 17.69 2.0298 -2 0 4 44.76 5.72 2.0247 -1 1 7 45.15 14.22 2.0082 2 0 4 45.20 4.49 2.0059 1 1 7 47.71 1.76 1.9063 0 2 6 49.24 12.88 1.8506 -1 1 8 49.71 16.17 1.8343 1 1 8 50.48 1.55 1.8081 -2 0 6 50.91 1.15 1.7936 -2 1 5 51.17 1.09 1.7853 2 0 6 51.93 3.88 1.7609 0 0 10 53.97 2.83 1.6989 -1 1 9 54.47 2.38 1.6846 1 1 9 54.51 29.52 1.6835 2 2 0 55.20 3.81 1.6640 0 3 1 55.56 4.77 1.6541 0 2 8 55.69 1.04 1.6506 2 2 2 55.75 1.25 1.6488 1 2 7 57.95 1.89 1.5913 -2 0 8 58.79 2.28 1.5706 2 0 8 58.95 2.97 1.5667 -1 1 10 59.10 1.13 1.5631 -1 3 1 59.15 2.72 1.5619 1 3 1 59.84 10.54 1.5456 -1 3 2 59.94 6.36 1.5431 1 3 2 61.08 1.16 1.5172 -1 3 3 61.23 1.96 1.5138 1 3 3 61.40 3.25 1.5100 0 3 5 62.79 1.28 1.4798 -1 3 4 62.99 3.11 1.4756 1 3 4 63.38 6.28 1.4674 0 0 12 63.43 11.79 1.4665 -2 2 6 64.03 9.57 1.4542 2 2 6 64.18 1.12 1.4512 -1 1 11 64.41 1.17 1.4465 -3 1 1 64.56 1.58 1.4436 3 1 1 64.69 13.74 1.4410 0 2 10 64.72 1.52 1.4403 1 1 11 64.97 1.75 1.4354 -1 3 5 65.06 6.07 1.4336 -3 1 2 65.36 8.62 1.4278 3 1 2 66.20 1.13 1.4118 -3 1 3 66.63 1.35 1.4035 3 1 3 66.78 7.66 1.4007 -2 0 10 67.25 1.07 1.3922 0 3 7 67.75 5.99 1.3831 2 0 10 67.79 3.17 1.3823 -3 1 4 68.37 1.15 1.3721 3 1 4 69.64 2.70 1.3500 -1 1 12 69.84 1.19 1.3467 -3 1 5 70.05 1.20 1.3432 -2 3 1 70.14 1.13 1.3416 2 3 1 70.21 3.82 1.3405 1 1 12 70.95 1.17 1.3284 1 3 7 73.17 1.39 1.2935 3 1 6 74.05 4.99 1.2802 -1 3 8 74.42 2.76 1.2747 1 3 8 75.39 1.34 1.2609 -2 3 5 75.60 1.31 1.2578 0 0 14 75.85 1.28 1.2543 2 3 5 75.90 2.49 1.2536 0 4 0 78.54 3.98 1.2179 -3 1 8 79.08 1.12 1.2110 2 2 10 79.63 3.57 1.2039 3 1 8 81.22 1.54 1.1844 -1 4 3 81.35 1.50 1.1828 1 4 3 81.41 1.58 1.1820 -1 1 14 82.05 1.86 1.1745 1 1 14 82.55 1.04 1.1687 1 3 10 83.64 1.06 1.1561 0 3 11 83.94 2.18 1.1528 0 4 6 85.47 2.75 1.1360 4 0 0 86.39 1.19 1.1263 -3 1 10 87.51 1.17 1.1147 -3 3 2 87.78 2.28 1.1120 3 3 2 87.82 3.30 1.1116 -2 2 12 88.89 2.51 1.1009 2 2 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.