Lammerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060715 Hawthorne F C American Mineralogist 71 (1986) 206-209 Lammerite, Cu3(AsO4)2, a modulated close-packed structure CELL PARAMETERS: 5.0770 11.6120 5.3960 90.000 111.860 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: 31.39996802 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.26 4.37 5.8060 0 2 0 19.30 1.40 4.5986 0 1 1 20.34 4.62 4.3662 1 1 0 21.91 32.06 4.0565 -1 1 1 23.46 45.84 3.7922 0 2 1 24.33 1.21 3.6587 1 2 0 25.67 5.19 3.4706 -1 2 1 29.16 47.95 3.0626 0 3 1 29.87 48.83 2.9909 1 3 0 30.80 18.93 2.9030 0 4 0 30.99 100.00 2.8855 -1 3 1 31.49 55.70 2.8411 1 1 1 34.28 53.74 2.6159 1 2 1 34.60 50.41 2.5921 -1 1 2 35.56 54.02 2.5244 -2 0 1 35.75 14.07 2.5115 0 4 1 35.86 7.99 2.5040 0 0 2 36.35 3.45 2.4716 1 4 0 36.42 1.15 2.4668 -2 1 1 36.72 13.82 2.4477 0 1 2 37.29 10.64 2.4111 -1 4 1 38.20 4.72 2.3560 2 0 0 39.01 7.03 2.3089 2 1 0 41.19 13.29 2.1918 -1 3 2 41.36 7.55 2.1831 2 2 0 41.73 5.36 2.1646 -2 0 2 43.44 21.34 2.0831 1 5 0 44.26 1.02 2.0465 -1 5 1 44.68 7.20 2.0283 -2 2 2 45.05 6.95 2.0125 2 3 0 46.30 2.91 1.9609 -1 4 2 46.95 8.84 1.9353 0 6 0 47.70 6.08 1.9067 1 1 2 47.74 9.71 1.9049 -2 4 1 47.98 22.53 1.8961 0 4 2 48.17 6.22 1.8893 -2 3 2 49.11 10.78 1.8551 2 1 1 49.85 4.43 1.8293 2 4 0 51.02 1.39 1.7902 1 6 0 51.42 5.95 1.7771 -1 1 3 51.74 2.62 1.7668 -1 6 1 52.75 1.45 1.7353 -2 4 2 52.95 5.86 1.7293 1 3 2 53.62 2.21 1.7092 -2 5 1 53.84 5.58 1.7028 0 5 2 54.24 4.68 1.6911 -2 0 3 55.01 3.38 1.6693 0 0 3 55.56 1.52 1.6539 2 5 0 55.62 9.34 1.6523 0 1 3 56.42 2.27 1.6309 -1 3 3 56.69 3.67 1.6236 -2 2 3 56.99 1.35 1.6160 -3 1 2 57.03 5.04 1.6149 1 6 1 58.51 6.97 1.5776 2 4 1 58.62 16.37 1.5747 0 7 1 58.77 5.32 1.5710 -3 2 2 59.03 5.17 1.5648 -1 6 2 59.38 3.63 1.5565 3 1 0 59.69 1.12 1.5490 -1 7 1 60.26 2.52 1.5359 -2 6 1 60.39 4.33 1.5329 0 3 3 60.46 3.75 1.5313 0 6 2 60.57 3.05 1.5288 -1 4 3 61.12 16.48 1.5162 3 2 0 61.68 15.81 1.5037 -3 3 2 62.06 1.20 1.4955 2 6 0 62.52 3.27 1.4857 1 5 2 63.68 16.49 1.4613 -2 4 3 63.70 3.23 1.4609 2 5 1 63.75 1.47 1.4599 -3 4 1 64.06 7.16 1.4536 2 1 2 64.16 1.25 1.4515 0 8 0 64.56 7.93 1.4436 1 7 1 65.14 7.30 1.4321 -3 1 3 66.42 4.45 1.4075 -1 7 2 67.14 1.84 1.3941 0 8 1 67.52 3.75 1.3872 1 8 0 68.14 2.57 1.3762 -1 8 1 68.15 11.10 1.3759 1 2 3 68.48 1.66 1.3702 2 3 2 68.62 1.31 1.3676 1 6 2 68.72 11.02 1.3659 -3 5 1 69.27 2.55 1.3564 2 7 0 69.32 2.10 1.3555 0 5 3 69.52 1.70 1.3522 -3 3 3 69.55 1.73 1.3517 3 1 1 69.75 5.58 1.3482 2 6 1 70.53 2.09 1.3352 -3 5 2 71.16 2.25 1.3250 3 2 1 71.68 7.11 1.3167 -2 7 2 72.23 1.45 1.3080 2 4 2 72.37 7.16 1.3058 -1 2 4 73.25 2.66 1.2922 -3 4 3 75.00 3.19 1.2664 -1 3 4 75.16 2.94 1.2641 0 6 3 75.29 1.24 1.2622 -4 0 2 75.56 2.35 1.2583 -2 8 1 75.62 1.74 1.2575 -2 3 4 75.74 1.33 1.2558 0 8 2 75.81 1.19 1.2548 -4 1 2 76.01 1.59 1.2520 0 0 4 76.28 2.72 1.2483 -4 1 1 76.33 1.40 1.2476 -3 6 2 76.95 3.37 1.2391 2 5 2 77.19 1.53 1.2358 2 8 0 77.83 2.05 1.2272 -4 2 1 78.09 1.79 1.2239 0 2 4 78.39 2.41 1.2198 -3 1 4 78.41 1.42 1.2196 3 6 0 78.43 1.18 1.2193 -1 7 3 78.63 1.41 1.2168 -1 4 4 80.40 1.47 1.1944 -4 3 1 82.59 1.36 1.1681 2 6 2 83.23 1.25 1.1608 -1 5 4 84.30 1.08 1.1488 2 8 1 84.83 1.27 1.1429 1 6 3 86.05 1.32 1.1299 -3 4 4 86.08 1.28 1.1295 -1 8 3 86.08 1.97 1.1295 3 2 2 86.28 1.63 1.1275 1 10 0 86.84 1.49 1.1216 -1 10 1 89.41 1.76 1.0959 -2 6 4 89.84 1.35 1.0918 1 2 4 89.86 1.41 1.0915 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.