Guanacoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060811 Witzke T, Kolitsch U, Krause W, Wiechowski A, Medenbach O, Kampf A R, Steele I M, Favreau G European Journal of Mineralogy 18 (2006) 813-821 Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure Locality: El Guanaco Mine, Taltal, Chile CELL PARAMETERS: 5.4800 16.7900 6.8700 90.000 100.690 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 0.504 0.786 Mg 0.00000 0.00000 0.00000 0.496 0.786 Cu 0.48613 0.06121 0.81351 1.000 0.856 Mg -0.03662 0.12866 0.66179 0.961 0.853 Cu -0.03662 0.12866 0.66179 0.039 0.853 As 0.38336 0.11719 0.33611 1.000 0.699 O 0.34980 0.04317 0.16710 1.000 1.090 O 0.61490 0.09660 0.51990 1.000 1.184 O 0.11440 0.13312 0.41390 1.000 1.232 O 0.43830 0.19887 0.20770 1.000 1.098 Oh 0.14840 0.02198 0.75040 1.000 0.900 Oh 0.81800 0.10178 0.91590 1.000 0.916 Ow 0.31320 0.16615 0.83610 1.000 0.932 Ow 0.87800 0.25109 0.16830 1.000 1.303 H 0.13700 -0.00700 0.69300 1.000 2.290 H 0.81700 0.12900 0.97100 1.000 1.974 H 0.35400 0.20300 0.78900 1.000 2.290 H 0.34000 0.17700 0.96300 1.000 2.527 H 0.96800 0.22400 0.23500 1.000 2.606 H 0.73500 0.24100 0.17800 1.000 2.606 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 15 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 18.59644183 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.54 100.00 8.3950 0 2 0 14.14 3.09 6.2635 0 1 1 16.46 37.88 5.3849 1 0 0 17.29 17.17 5.1276 1 1 0 19.59 7.76 4.5326 1 2 0 19.81 17.54 4.4824 -1 1 1 20.61 37.64 4.3086 0 3 1 21.17 24.79 4.1975 0 4 0 22.92 13.52 3.8804 1 3 0 23.57 3.02 3.7747 1 1 1 24.89 2.49 3.5772 -1 3 1 24.98 14.15 3.5646 0 4 1 25.32 14.45 3.5175 1 2 1 26.41 20.85 3.3754 0 0 2 26.93 13.78 3.3105 1 4 0 26.94 10.22 3.3092 0 1 2 28.01 8.72 3.1853 1 3 1 28.65 9.67 3.1162 -1 4 1 28.99 28.64 3.0803 -1 1 2 29.71 18.29 3.0066 0 5 1 30.45 13.92 2.9356 -1 2 2 30.94 34.49 2.8904 0 3 2 31.39 2.49 2.8494 1 5 0 31.42 4.97 2.8468 1 4 1 31.98 2.64 2.7983 0 6 0 32.75 35.63 2.7341 -1 3 2 32.90 10.31 2.7226 -1 5 1 33.28 12.44 2.6924 2 0 0 33.71 18.93 2.6585 2 1 0 33.86 24.36 2.6475 1 0 2 33.90 1.91 2.6442 -2 1 1 34.29 1.94 2.6152 1 1 2 34.70 10.13 2.5850 0 6 1 35.00 6.21 2.5638 2 2 0 35.18 1.31 2.5510 -2 2 1 35.37 6.09 2.5374 1 5 1 35.56 1.08 2.5249 1 2 2 35.76 4.98 2.5110 -1 4 2 36.18 11.94 2.4831 1 6 0 37.05 3.97 2.4263 2 3 0 37.23 4.94 2.4154 -2 3 1 37.51 2.41 2.3978 -1 6 1 38.60 7.19 2.3322 2 1 1 39.10 3.90 2.3036 -2 1 2 39.74 22.34 2.2684 1 6 1 39.75 2.58 2.2675 2 2 1 39.89 1.93 2.2601 0 7 1 39.94 6.22 2.2574 -2 4 1 40.27 3.57 2.2393 1 4 2 40.85 17.77 2.2092 -1 1 3 41.20 1.07 2.1910 1 7 0 41.60 3.08 2.1707 2 3 1 41.94 1.39 2.1543 0 6 2 41.94 1.31 2.1539 -1 2 3 42.07 5.78 2.1476 -2 3 2 42.40 2.35 2.1318 -1 7 1 43.10 2.57 2.0988 0 8 0 43.21 3.27 2.0935 -2 5 1 43.34 2.74 2.0878 0 3 3 43.72 2.80 2.0704 -1 3 3 44.09 6.79 2.0539 2 4 1 44.54 1.47 2.0343 -2 4 2 45.25 1.69 2.0041 0 8 1 46.12 1.95 1.9683 -1 4 3 46.44 10.01 1.9555 1 8 0 46.87 1.67 1.9384 1 1 3 46.91 2.97 1.9370 2 0 2 47.24 3.81 1.9242 2 1 2 47.56 2.10 1.9119 -2 5 2 47.75 1.56 1.9046 -1 7 2 48.71 1.43 1.8693 0 5 3 48.91 6.13 1.8621 -2 2 3 49.39 1.00 1.8453 1 8 1 49.46 1.87 1.8427 1 3 3 50.66 2.17 1.8019 2 6 1 50.77 2.36 1.7982 0 9 1 50.99 2.23 1.7910 2 7 0 51.18 1.00 1.7848 3 1 0 51.35 3.28 1.7792 -3 2 1 52.00 7.57 1.7587 2 4 2 52.48 3.92 1.7438 -1 8 2 52.49 1.97 1.7433 -1 6 3 52.65 1.26 1.7383 -2 4 3 52.88 10.65 1.7315 -1 9 1 53.62 1.98 1.7092 3 3 0 53.83 1.95 1.7031 -1 0 4 54.13 2.08 1.6944 -1 1 4 54.36 1.12 1.6876 -3 2 2 54.38 1.66 1.6872 1 5 3 54.71 3.50 1.6778 2 5 2 54.98 4.06 1.6702 -3 4 1 55.64 2.22 1.6519 3 1 1 55.69 1.26 1.6504 3 4 0 55.83 3.88 1.6466 -3 3 2 56.04 9.54 1.6411 0 7 3 56.48 2.98 1.6294 0 10 1 56.48 3.39 1.6294 -1 3 4 56.99 4.04 1.6158 0 3 4 57.58 2.15 1.6007 1 6 3 57.85 9.19 1.5938 -3 4 2 57.90 2.59 1.5926 2 6 2 57.95 4.30 1.5914 3 3 1 58.44 2.40 1.5793 -1 10 1 58.51 5.00 1.5774 -2 6 3 58.99 3.30 1.5659 0 4 4 59.23 1.08 1.5601 2 2 3 59.31 3.13 1.5581 -2 8 2 59.91 5.28 1.5438 -3 1 3 59.92 4.47 1.5436 3 4 1 60.06 7.85 1.5405 1 10 1 60.39 1.50 1.5329 -3 5 2 60.48 2.25 1.5307 -2 9 1 60.73 3.65 1.5251 1 1 4 60.75 1.08 1.5246 -3 2 3 61.23 1.09 1.5138 1 7 3 61.36 1.42 1.5109 3 6 0 61.54 1.58 1.5069 2 7 2 61.70 1.17 1.5033 0 10 2 62.13 4.96 1.4940 -2 7 3 62.41 4.38 1.4880 3 5 1 62.92 6.67 1.4771 1 3 4 63.00 2.71 1.4754 3 0 2 63.37 3.38 1.4678 -2 4 4 64.08 1.27 1.4531 3 2 2 64.23 1.88 1.4502 -3 7 1 64.80 1.32 1.4387 1 4 4 64.93 8.88 1.4362 0 9 3 65.37 1.32 1.4276 3 6 1 65.76 1.80 1.4201 1 11 1 65.77 2.02 1.4198 -2 5 4 67.87 3.28 1.3810 2 6 3 68.48 1.71 1.3700 0 12 1 68.75 2.16 1.3653 -4 1 1 68.82 2.99 1.3641 3 8 0 68.99 2.18 1.3613 -2 10 2 69.53 4.58 1.3520 -4 2 1 69.74 1.93 1.3485 1 9 3 70.25 1.37 1.3399 -1 12 1 70.58 2.04 1.3345 -2 9 3 70.75 2.98 1.3316 -3 8 2 71.22 1.63 1.3240 2 7 3 71.31 1.21 1.3225 -1 8 4 71.72 2.55 1.3160 1 12 1 72.48 2.17 1.3041 -2 1 5 73.35 1.06 1.2908 1 7 4 73.52 2.55 1.2882 2 3 4 73.56 1.32 1.2875 3 1 3 73.94 1.15 1.2819 4 4 0 75.29 1.55 1.2622 -3 5 4 75.36 1.58 1.2612 4 2 1 75.48 1.02 1.2595 -4 1 3 76.62 2.20 1.2436 -4 5 2 77.54 1.99 1.2312 -1 6 5 79.72 1.14 1.2029 2 12 1 80.98 1.11 1.1873 -3 1 5 81.22 1.61 1.1844 -3 7 4 81.40 1.43 1.1822 -4 5 3 82.22 1.11 1.1725 3 6 3 83.01 1.83 1.1633 -2 13 1 83.87 1.31 1.1536 2 10 3 85.74 1.44 1.1331 4 8 0 86.50 1.74 1.1251 0 0 6 86.81 1.26 1.1219 -3 5 5 87.72 1.36 1.1126 1 7 5 87.86 1.08 1.1112 4 5 2 89.11 1.42 1.0988 -4 5 4 89.68 1.05 1.0933 -2 11 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.