Lammerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140108 Hawthorne F C American Mineralogist 71 (1986) 206-209 Lammerite, Cu3(AsO4)2, a modulated close-packed structure _database_code_amcsd 0001009 CELL PARAMETERS: 5.0800 11.6220 5.3960 90.000 111.690 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.50000 0.50000 1.000 0.987 Cu 0.24620 0.83670 0.85630 1.000 1.169 As -0.11110 0.88510 0.26250 1.000 0.758 O 0.19210 0.91730 0.22030 1.000 1.026 O -0.09460 0.81570 0.53900 1.000 1.184 O 0.17170 0.68710 0.99040 1.000 1.026 O 0.28930 0.99020 0.73320 1.000 0.947 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 10 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 31.25071443 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.25 4.38 5.8110 0 2 0 19.28 1.40 4.6038 0 1 1 20.31 4.64 4.3734 1 1 0 21.92 32.01 4.0545 -1 1 1 23.43 45.94 3.7962 0 2 1 24.29 1.22 3.6639 1 2 0 25.67 5.19 3.4702 -1 2 1 29.13 48.06 3.0656 0 3 1 29.84 48.98 2.9946 1 3 0 30.77 18.97 2.9055 0 4 0 30.99 100.00 2.8860 -1 3 1 31.41 56.05 2.8479 1 1 1 34.20 54.06 2.6216 1 2 1 34.62 50.33 2.5912 -1 1 2 35.55 54.03 2.5251 -2 0 1 35.72 14.10 2.5139 0 4 1 35.82 8.01 2.5070 0 0 2 36.31 3.46 2.4743 1 4 0 36.41 1.15 2.4675 -2 1 1 36.67 13.86 2.4506 0 1 2 37.28 10.65 2.4120 -1 4 1 38.13 4.75 2.3602 2 0 0 38.94 7.06 2.3129 2 1 0 41.19 13.29 2.1918 -1 3 2 41.29 7.59 2.1867 2 2 0 41.76 5.35 2.1632 -2 0 2 43.39 21.40 2.0853 1 5 0 44.23 1.02 2.0476 -1 5 1 44.70 7.18 2.0273 -2 2 2 44.98 6.98 2.0156 2 3 0 46.29 2.91 1.9612 -1 4 2 46.91 8.86 1.9370 0 6 0 47.59 6.12 1.9109 1 1 2 47.72 9.73 1.9059 -2 4 1 47.93 22.60 1.8981 0 4 2 48.18 6.21 1.8887 -2 3 2 48.98 10.88 1.8596 2 1 1 49.77 4.45 1.8319 2 4 0 50.96 1.39 1.7920 1 6 0 51.41 5.95 1.7773 -1 1 3 51.71 2.62 1.7679 -1 6 1 52.76 1.44 1.7351 -2 4 2 52.84 5.91 1.7327 1 3 2 53.59 2.21 1.7102 -2 5 1 53.78 5.60 1.7045 0 5 2 54.28 4.66 1.6900 -2 0 3 54.94 3.39 1.6713 0 0 3 55.49 1.53 1.6561 2 5 0 55.55 9.38 1.6543 0 1 3 56.41 2.27 1.6312 -1 3 3 56.73 3.66 1.6228 -2 2 3 56.94 5.06 1.6171 1 6 1 57.00 1.35 1.6157 -3 1 2 58.38 7.02 1.5807 2 4 1 58.57 16.42 1.5761 0 7 1 58.78 5.32 1.5708 -3 2 2 59.00 5.17 1.5655 -1 6 2 59.26 3.65 1.5592 3 1 0 59.65 1.13 1.5501 -1 7 1 60.21 2.53 1.5369 -2 6 1 60.31 4.35 1.5346 0 3 3 60.39 3.77 1.5328 0 6 2 60.55 3.05 1.5292 -1 4 3 61.01 16.58 1.5188 3 2 0 61.69 15.80 1.5037 -3 3 2 61.98 1.20 1.4973 2 6 0 62.40 3.29 1.4882 1 5 2 63.57 3.25 1.4636 2 5 1 63.69 1.47 1.4610 -3 4 1 63.70 16.46 1.4608 -2 4 3 63.88 7.23 1.4572 2 1 2 64.10 1.25 1.4527 0 8 0 64.47 7.97 1.4454 1 7 1 65.19 7.27 1.4311 -3 1 3 66.39 4.46 1.4082 -1 7 2 67.08 1.85 1.3954 0 8 1 67.45 3.76 1.3885 1 8 0 68.00 11.19 1.3786 1 2 3 68.08 2.58 1.3772 -1 8 1 68.30 1.67 1.3734 2 3 2 68.50 1.32 1.3698 1 6 2 68.66 11.06 1.3671 -3 5 1 69.18 2.56 1.3579 2 7 0 69.24 2.10 1.3570 0 5 3 69.36 1.75 1.3548 3 1 1 69.56 1.70 1.3515 -3 3 3 69.62 5.62 1.3505 2 6 1 70.52 2.09 1.3354 -3 5 2 70.97 2.27 1.3280 3 2 1 71.65 7.12 1.3171 -2 7 2 72.05 1.46 1.3108 2 4 2 72.34 7.17 1.3063 -1 2 4 73.28 2.65 1.2918 -3 4 3 74.96 3.19 1.2669 -1 3 4 75.07 2.95 1.2654 0 6 3 75.27 1.24 1.2625 -4 0 2 75.50 2.35 1.2592 -2 8 1 75.65 1.74 1.2571 -2 3 4 75.66 1.34 1.2570 0 8 2 75.79 1.19 1.2552 -4 1 2 75.91 1.59 1.2535 0 0 4 76.18 2.73 1.2497 -4 1 1 76.31 1.41 1.2479 -3 6 2 76.76 3.40 1.2416 2 5 2 77.09 1.54 1.2372 2 8 0 77.73 2.06 1.2285 -4 2 1 77.98 1.80 1.2253 0 2 4 78.28 1.43 1.2213 3 6 0 78.39 1.18 1.2199 -1 7 3 78.46 2.40 1.2190 -3 1 4 78.59 1.41 1.2173 -1 4 4 80.30 1.48 1.1956 -4 3 1 82.40 1.37 1.1703 2 6 2 83.19 1.25 1.1613 -1 5 4 84.15 1.09 1.1504 2 8 1 84.67 1.28 1.1447 1 6 3 85.82 1.99 1.1322 3 2 2 86.03 1.28 1.1301 -1 8 3 86.10 1.31 1.1294 -3 4 4 86.18 1.63 1.1285 1 10 0 86.76 1.49 1.1224 -1 10 1 89.41 1.76 1.0959 -2 6 4 89.63 1.36 1.0938 1 2 4 89.68 1.42 1.0933 4 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.