Volaschioite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R130078 Biagioni C, Bonaccorsi E, Orlandi P The Canadian Mineralogist 49 (2011) 605-614 Volaschioite, Fe3+4(SO4)O2(OH)6*2H20, a new mineral species from Fornovolasco, Apuan Alps, Tuscany, Italy Locality: Fornovolasco, Tuscany, Italy _database_code_amcsd 0018472 CELL PARAMETERS: 16.0680 3.0580 10.9290 90.000 93.820 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Fe 0.29710 0.00000 0.39270 1.000 1.105 Fe 0.22640 0.50000 0.12510 1.000 1.105 S 0.49060 0.00000 0.29830 0.500 1.737 O 0.27440 0.50000 0.28880 1.000 1.500 O 0.54050 0.60500 0.32450 0.500 2.448 OH 0.15110 0.00000 0.14230 1.000 1.579 OH 0.18600 0.00000 0.47320 1.000 1.342 O 0.42280 0.00000 0.38720 0.500 2.685 Wa 0.42280 0.00000 0.38720 0.500 2.685 OH 0.30140 0.00000 0.06700 1.000 1.658 O 0.45990 0.00000 0.17000 0.500 2.448 Wa 0.47000 0.00000 0.08100 0.500 4.974 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 2 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 35.70419499 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.11 4.22 10.9047 0 0 1 11.04 100.00 8.0162 2 0 0 13.27 4.39 6.6745 -2 0 1 19.07 1.89 4.6549 -2 0 2 20.30 26.28 4.3748 2 0 2 22.18 26.37 4.0081 4 0 0 26.71 16.09 3.3372 -4 0 2 27.61 6.89 3.2305 2 0 3 28.50 5.22 3.1314 4 0 2 29.74 5.52 3.0038 1 1 0 32.85 13.72 2.7262 0 0 4 33.89 13.69 2.6450 -1 1 2 34.01 1.90 2.6362 -6 0 1 34.02 3.47 2.6351 -2 0 4 34.26 11.67 2.6172 1 1 2 34.51 3.60 2.5987 -3 1 1 35.06 5.27 2.5595 3 1 1 35.48 3.69 2.5301 2 0 4 36.45 3.31 2.4652 -6 0 2 37.18 7.87 2.4181 -3 1 2 38.20 2.03 2.3560 3 1 2 38.49 1.53 2.3386 6 0 2 38.65 1.46 2.3298 -1 1 3 39.14 5.00 2.3014 1 1 3 40.77 7.22 2.2130 5 1 0 41.25 1.65 2.1885 -5 1 1 41.27 2.12 2.1874 4 0 4 43.42 3.85 2.0842 -5 1 2 44.91 2.03 2.0184 5 1 2 45.19 2.90 2.0063 1 1 4 45.47 1.75 1.9948 -8 0 1 46.98 1.06 1.9340 -3 1 4 47.27 6.08 1.9229 -8 0 2 48.66 4.06 1.8710 3 1 4 48.85 1.21 1.8643 4 0 5 49.74 4.93 1.8332 7 1 0 50.01 3.42 1.8238 -7 1 1 50.95 1.56 1.7923 7 1 1 52.01 3.87 1.7582 -5 1 4 52.35 2.40 1.7475 2 0 6 54.60 2.23 1.6807 5 1 4 55.40 2.85 1.6583 3 1 5 57.02 1.13 1.6153 4 0 6 57.50 1.94 1.6028 7 1 3 59.08 4.50 1.5637 -1 1 6 59.22 3.72 1.5602 -7 1 4 59.80 1.21 1.5465 1 1 6 60.11 2.03 1.5392 9 1 0 60.56 4.77 1.5290 0 2 0 60.81 3.59 1.5233 -3 1 6 61.77 2.06 1.5019 2 2 0 62.55 3.72 1.4850 7 1 4 64.57 1.22 1.4434 2 2 2 64.87 2.34 1.4373 -5 1 6 65.32 1.32 1.4286 4 2 0 67.37 1.14 1.3900 -4 2 2 67.42 1.64 1.3890 9 1 3 68.22 1.65 1.3747 -9 1 4 69.13 1.12 1.3588 -2 0 8 70.63 1.65 1.3336 0 2 4 78.84 1.32 1.2140 11 1 3 80.21 1.40 1.1968 -8 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.