Cabalzarite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060658 Brugger J, Meisser N, Schenk K, Berlepsch P, Bonin M, Armbruster T, Nyfeler D, Schmidt S American Mineralogist 85 (2000) 1307-1314 Description and crystal structure of cabalzarite Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2, a new mineral of the tsumcorite group Locality: Falotta, Graubunden, Switzerland Sample: CABA11.5, Lausanne CELL PARAMETERS: 8.9500 6.1350 7.3500 90.000 115.750 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 1.000 0.711 Mg 0.25000 0.25000 0.50000 0.392 0.316 Al 0.25000 0.25000 0.50000 0.408 0.316 Fe 0.25000 0.25000 0.50000 0.177 0.316 Mn 0.25000 0.25000 0.50000 0.023 0.316 As 0.91597 0.50000 0.20844 1.000 0.388 Ow 0.34010 0.50000 0.40890 1.000 0.805 O 0.31680 0.00000 0.36480 1.000 0.774 O 0.03710 0.27710 0.25190 1.000 0.663 O 0.24020 0.50000 0.01870 1.000 1.105 H 0.42780 0.50000 0.47850 0.500 1.184 H 0.33210 0.50000 0.30580 1.000 4.106 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 20.01900868 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.17 65.58 4.8820 1 1 0 19.55 30.52 4.5411 -1 1 1 22.05 3.77 4.0306 2 0 0 25.36 18.19 3.5124 1 1 1 26.39 55.35 3.3768 -2 0 2 26.94 3.66 3.3101 0 0 2 28.32 100.00 3.1518 -1 1 2 29.11 33.03 3.0675 0 2 0 30.57 64.15 2.9243 2 0 1 32.16 27.95 2.7832 0 2 1 33.41 55.60 2.6818 -3 1 1 35.70 52.25 2.5151 -2 2 1 35.76 23.70 2.5107 -3 1 2 36.51 1.67 2.4613 3 1 0 36.59 25.25 2.4560 1 1 2 36.82 4.32 2.4410 2 2 0 39.70 2.14 2.2705 -2 2 2 40.08 3.31 2.2499 0 2 2 40.17 2.43 2.2447 -1 1 3 40.90 2.19 2.2067 0 0 3 42.19 9.79 2.1420 2 0 2 42.72 23.99 2.1166 2 2 1 42.79 1.21 2.1134 -3 1 3 44.06 4.81 2.0553 3 1 1 44.98 1.44 2.0153 4 0 0 45.77 2.27 1.9822 1 3 0 45.93 5.40 1.9757 -4 0 3 46.39 3.82 1.9572 -1 3 1 49.38 3.64 1.8455 1 3 1 49.61 18.15 1.8375 1 1 3 49.63 9.31 1.8369 -2 0 4 51.12 11.61 1.7868 -1 3 2 52.08 2.57 1.7562 2 2 2 52.98 3.23 1.7283 -3 1 4 53.40 1.20 1.7157 -5 1 2 53.59 3.27 1.7102 -1 1 4 54.34 10.22 1.6884 -4 0 4 54.40 15.84 1.6865 -3 3 1 54.48 6.15 1.6843 4 2 0 54.49 6.90 1.6839 -5 1 1 54.61 1.23 1.6807 3 1 2 55.31 39.94 1.6610 -4 2 3 55.52 7.74 1.6550 0 0 4 56.03 3.38 1.6413 -3 3 2 56.13 4.45 1.6387 -5 1 3 56.55 1.26 1.6273 3 3 0 56.61 3.45 1.6258 1 3 2 58.57 14.56 1.5759 -2 2 4 59.26 5.95 1.5593 5 1 0 60.35 17.85 1.5338 0 4 0 61.23 1.15 1.5137 -3 3 3 61.54 15.96 1.5068 4 2 1 62.23 2.96 1.4919 3 3 1 62.27 1.03 1.4909 -6 0 2 63.53 2.78 1.4645 -6 0 3 63.64 7.69 1.4622 4 0 2 63.75 1.93 1.4599 -2 0 5 63.88 8.97 1.4573 2 2 3 65.40 1.36 1.4271 -4 0 5 65.41 1.40 1.4267 -3 1 5 66.71 7.43 1.4021 1 3 3 67.02 5.85 1.3965 -2 4 2 67.32 4.46 1.3908 3 1 3 68.16 2.06 1.3758 -6 0 4 68.36 1.87 1.3723 -1 1 5 69.16 10.66 1.3583 2 4 1 70.03 1.85 1.3435 6 0 0 70.19 9.11 1.3409 -6 2 2 70.84 4.23 1.3301 -5 3 1 70.94 1.03 1.3285 3 3 2 71.22 2.15 1.3240 0 0 5 71.37 2.29 1.3216 -6 2 3 71.48 5.31 1.3199 4 2 2 71.52 4.62 1.3191 -5 1 5 72.26 3.07 1.3075 -5 3 3 72.29 3.81 1.3070 -6 2 1 75.02 3.35 1.2661 5 3 0 75.49 1.10 1.2594 0 4 3 76.37 1.58 1.2470 2 4 2 76.43 1.42 1.2462 -7 1 2 77.93 1.26 1.2259 5 1 2 78.72 9.83 1.2156 0 2 5 78.92 1.82 1.2130 1 5 0 79.04 2.08 1.2115 -4 4 3 79.47 2.95 1.2060 -2 0 6 79.63 3.86 1.2040 -7 1 4 79.88 5.82 1.2009 -3 1 6 80.60 1.02 1.1920 -3 3 5 81.81 2.96 1.1773 -2 4 4 82.09 2.32 1.1740 3 1 4 82.36 2.98 1.1708 3 3 3 82.97 4.64 1.1638 -1 5 2 83.24 3.33 1.1607 -6 2 5 84.84 1.04 1.1428 -1 1 6 85.54 4.02 1.1353 -4 4 4 85.60 2.54 1.1347 -3 5 1 85.86 3.34 1.1318 7 1 0 85.90 1.85 1.1314 -7 1 5 86.31 3.54 1.1271 -5 3 5 86.52 3.20 1.1250 0 4 4 86.93 1.72 1.1206 -3 5 2 87.42 2.02 1.1156 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.