Vertumnite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070063 Galli E, Passaglia E Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 33-46 Vertumnite: its crystal structure and relationship with natural and synthetic phases Locality: Campomorto, Montalto di Castro CELL PARAMETERS: 5.7540 5.7540 25.1300 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Al 0.00000 0.00000 0.00000 1.000 1.200 Ca 0.33333 0.66667 0.02120 1.000 1.100 Si 0.00000 0.00000 0.18570 0.353 2.800 Al 0.00000 0.00000 0.18570 0.277 2.800 Si 0.66667 0.33333 0.18550 0.364 3.100 Al 0.66667 0.33333 0.18550 0.286 3.100 OH 0.30540 0.25000 0.04070 1.000 1.600 OH 0.33333 0.66667 0.12080 0.870 3.200 Wa 0.33333 0.66667 0.12080 0.130 3.200 O 0.00000 0.00000 0.25000 0.780 5.500 O 0.66667 0.33333 0.25000 0.730 4.400 O 0.33500 0.12320 0.16080 0.250 6.800 OH 0.33500 0.12320 0.16080 0.710 6.800 Wa 0.23100 0.66000 0.25000 0.150 7.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 23 MAX. ABS. INTENSITY / VOLUME**2: 18.31700558 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.04 100.00 12.5650 0 0 2 14.10 36.18 6.2825 0 0 4 20.74 14.11 4.2826 1 0 3 21.21 11.49 4.1883 0 0 6 22.78 1.26 3.9041 1 0 4 25.17 2.36 3.5387 1 0 5 31.09 27.52 2.8770 1 1 0 32.92 2.65 2.7210 1 1 3 33.73 1.31 2.6573 1 0 8 34.28 6.25 2.6158 1 1 4 35.97 4.89 2.4969 1 1 5 36.05 1.35 2.4916 2 0 0 36.77 2.59 2.4440 2 0 2 36.90 7.77 2.4359 1 0 9 37.67 7.50 2.3882 2 0 3 37.94 7.64 2.3714 1 1 6 40.17 2.28 2.2450 1 1 7 40.41 2.56 2.2323 2 0 5 42.61 3.21 2.1216 1 1 8 43.58 4.35 2.0767 1 0 11 44.25 1.97 2.0469 2 0 7 48.07 4.26 1.8927 1 1 10 48.90 1.33 1.8626 2 1 2 49.00 6.04 1.8590 2 0 9 49.61 2.08 1.8376 1 2 3 50.87 1.29 1.7950 0 0 14 51.84 1.19 1.7637 1 2 5 54.49 1.94 1.6839 2 0 11 55.31 7.14 1.6610 3 0 0 55.83 1.54 1.6467 3 0 2 57.38 2.29 1.6059 3 0 4 58.09 1.20 1.5880 1 0 15 59.17 2.16 1.5614 1 2 9 59.91 2.16 1.5440 3 0 6 64.08 1.26 1.4532 1 2 11 64.81 2.73 1.4385 2 2 0 68.00 1.01 1.3786 1 1 16 69.03 1.45 1.3605 2 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.