Chukhrovite-(Ca) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R130040 Vignola P, Hatert F, Bersani D, Diella V, Gentile P, Risplendente A European Journal of Mineralogy 24 (2012) 1069-1076 Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy Locality: Val Cavallizza mine, Cuasso al Monte, Varese province, Italy _database_code_amcsd 0019596 CELL PARAMETERS: 16.7490 16.7490 16.7490 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.29285 0.29285 0.29285 1.000 1.619 Ca -0.12500 0.37500 0.60300 0.055 4.106 Na -0.12500 0.37500 0.60300 0.020 4.106 Fe -0.12500 0.37500 0.60300 0.005 4.106 Al 0.50000 0.50000 0.50000 1.000 1.374 S 0.12500 0.12500 0.12500 1.000 2.124 F 0.37500 0.37500 0.37500 1.000 1.342 F 0.21970 0.34000 0.44940 1.000 2.290 O 0.07400 0.07400 0.07400 1.000 2.448 Ow 0.15560 0.24360 0.30710 1.000 3.166 H 0.13200 0.21300 0.27600 1.000 6.317 H 0.15100 0.21300 0.35000 1.000 7.106 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 15 +/- 15 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 13.17581932 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.15 100.00 9.6700 1 1 1 14.96 41.84 5.9217 2 2 0 17.56 24.76 5.0500 3 1 1 18.35 1.10 4.8350 2 2 2 21.22 10.52 4.1873 4 0 0 23.15 7.01 3.8425 3 3 1 26.06 4.76 3.4189 4 2 2 27.67 30.64 3.2233 5 1 1 30.18 5.46 2.9608 4 4 0 31.60 12.74 2.8311 5 1 3 32.06 1.57 2.7915 4 4 2 33.85 9.49 2.6482 6 0 2 33.85 8.40 2.6482 6 2 0 35.13 28.76 2.5542 5 3 3 38.38 5.94 2.3453 7 1 1 38.38 1.47 2.3453 5 5 1 40.30 21.92 2.2382 6 4 2 41.41 25.14 2.1805 7 3 1 41.41 9.39 2.1805 5 5 3 43.21 1.06 2.0936 8 0 0 44.61 2.27 2.0311 6 4 4 45.98 5.36 1.9739 6 6 0 46.98 5.22 1.9340 5 5 5 47.31 3.82 1.9212 6 6 2 48.62 1.46 1.8726 8 0 4 49.58 1.78 1.8384 7 5 3 49.90 14.80 1.8275 8 4 2 49.90 7.09 1.8275 8 2 4 51.16 2.17 1.7854 6 6 4 52.09 2.51 1.7558 9 3 1 52.09 2.04 1.7558 9 1 3 53.61 5.19 1.7094 8 4 4 54.51 7.00 1.6833 9 3 3 55.99 1.90 1.6424 8 2 6 55.99 1.66 1.6424 8 6 2 57.15 3.74 1.6117 10 2 2 59.15 2.54 1.5619 9 5 3 61.39 4.33 1.5102 7 7 5 62.76 1.79 1.4804 8 8 0 63.58 1.49 1.4634 11 1 3 63.85 2.32 1.4578 10 4 4 65.73 1.90 1.4206 9 7 3 66.00 4.15 1.4155 10 2 6 69.15 1.73 1.3585 10 4 6 74.01 1.56 1.2808 11 1 7 74.01 1.11 1.2808 13 1 1 74.01 1.53 1.2808 11 7 1 76.27 1.73 1.2484 10 8 4 82.20 1.01 1.1727 14 2 2 83.92 1.15 1.1530 11 9 3 85.14 2.27 1.1396 12 6 6 85.87 1.63 1.1318 13 1 7 87.08 1.01 1.1191 12 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.