Atacamite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050098 Parise J B, Hyde B G Acta Crystallographica C42 (1986) 1277-1280 The structure of atacamite and its relationship to spinel Locality: Mina La Farola, Chile CELL PARAMETERS: 6.0303 6.8677 9.1189 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 0.553 Cu 0.19060 0.25000 0.25530 1.000 0.553 Cl 0.35180 0.75000 0.05560 1.000 0.947 O 0.14980 0.25000 -0.00180 1.000 0.869 O 0.44060 0.06510 0.28790 1.000 0.632 H 0.30490 0.25000 -0.01480 1.000 0.237 H 0.43310 -0.03340 0.22790 1.000 0.237 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 32.47443794 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.16 100.00 5.4859 0 1 1 17.63 71.50 5.0299 1 0 1 19.47 1.22 4.5595 0 0 2 21.90 5.00 4.0580 1 1 1 25.95 2.82 3.4339 0 2 0 27.76 3.82 3.2140 1 1 2 29.63 2.02 3.0152 2 0 0 31.55 58.73 2.8360 1 2 1 32.20 46.26 2.7796 0 1 3 32.43 28.46 2.7608 2 1 0 32.65 17.75 2.7430 0 2 2 33.00 9.29 2.7143 1 0 3 33.93 9.54 2.6423 2 1 1 35.70 19.50 2.5150 2 0 2 35.97 1.53 2.4968 1 2 2 39.53 34.77 2.2797 0 0 4 39.79 48.64 2.2657 2 2 0 40.63 1.72 2.2203 0 3 1 41.05 10.10 2.1988 2 2 1 42.22 5.65 2.1406 2 0 3 42.39 3.13 2.1324 1 0 4 42.45 10.58 2.1294 1 2 3 44.32 8.26 2.0437 2 1 3 46.25 10.55 1.9630 3 0 1 49.87 6.17 1.8286 0 3 3 50.03 11.95 1.8233 2 3 0 50.22 14.50 1.8166 2 2 3 50.37 1.52 1.8115 1 2 4 51.09 8.21 1.7879 2 3 1 51.87 1.36 1.7627 0 1 5 52.02 6.45 1.7579 2 1 4 52.41 8.62 1.7457 1 0 5 53.36 13.81 1.7169 0 4 0 53.79 4.42 1.7042 3 2 1 54.18 1.03 1.6929 2 3 2 54.75 2.47 1.6766 3 0 3 56.65 4.35 1.6249 1 4 1 57.33 22.91 1.6070 2 2 4 59.08 5.97 1.5636 2 3 3 59.22 1.98 1.5603 1 3 4 59.39 6.73 1.5561 1 2 5 60.88 1.46 1.5217 2 1 5 61.55 4.42 1.5066 3 2 3 62.44 3.81 1.4874 4 0 1 63.13 1.53 1.4726 3 1 4 63.14 4.82 1.4725 4 1 0 63.14 1.21 1.4724 2 4 1 64.19 4.26 1.4510 1 4 3 65.56 4.15 1.4239 2 3 4 65.87 9.15 1.4180 2 4 2 66.76 2.44 1.4012 4 1 2 67.38 6.62 1.3898 0 2 6 67.90 3.59 1.3804 4 2 0 68.40 8.23 1.3715 0 4 4 68.78 1.32 1.3648 4 2 1 69.17 2.03 1.3582 0 5 1 69.23 4.35 1.3572 2 0 6 69.61 1.69 1.3507 3 0 5 69.61 3.46 1.3506 4 0 3 70.28 3.34 1.3393 2 4 3 70.76 1.45 1.3314 2 1 6 71.40 6.26 1.3212 4 2 2 73.24 4.15 1.2923 3 4 1 73.44 1.15 1.2894 2 3 5 74.08 1.98 1.2799 0 1 7 74.52 1.38 1.2733 1 0 7 75.51 1.19 1.2591 4 3 0 75.66 3.18 1.2569 3 2 5 75.67 2.35 1.2569 4 2 3 76.01 1.10 1.2520 1 1 7 76.04 2.99 1.2517 0 5 3 76.16 1.29 1.2500 2 5 0 77.11 3.10 1.2369 4 1 4 78.07 2.31 1.2241 1 4 5 79.98 1.83 1.1996 3 4 3 81.52 2.31 1.1808 4 2 4 81.74 1.19 1.1781 2 1 7 85.83 1.36 1.1322 0 3 7 86.10 1.38 1.1293 2 2 7 86.12 1.52 1.1292 5 2 1 86.59 1.20 1.1242 4 4 1 86.89 1.01 1.1210 5 0 3 87.38 1.85 1.1161 1 6 1 87.96 2.07 1.1102 0 6 2 88.77 1.25 1.1022 4 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.