Fluornatromicrolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130021 Witzke T, Steins M, Doering T, Schuckmann W, Wegner R, Pollmann H The Canadian Mineralogist 49 (2011) 1105-1110 Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil Locality: Quixaba, Paraiba, Brazil _database_code_amcsd 0018616 CELL PARAMETERS: 10.4700 10.4700 10.4700 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.00000 0.555 3.000 Ca 0.00000 0.00000 0.00000 0.325 3.000 Bi 0.00000 0.00000 0.00000 0.075 3.000 Ta 0.50000 0.50000 0.50000 1.000 1.176 O -0.18280 0.12500 0.12500 1.000 1.445 F 0.12500 0.12500 0.12500 1.000 2.132 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 251.9381918 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.65 61.36 6.0449 1 1 1 28.27 42.73 3.1568 3 1 1 29.56 100.00 3.0224 2 2 2 34.26 31.70 2.6175 4 0 0 37.44 7.37 2.4020 3 3 1 44.99 6.73 2.0150 5 1 1 44.99 6.87 2.0150 3 3 3 49.23 40.95 1.8509 4 4 0 51.65 12.14 1.7698 5 3 1 57.74 6.10 1.5967 5 3 3 58.47 36.27 1.5784 6 2 2 61.35 9.13 1.5112 4 4 4 63.45 4.73 1.4661 5 5 1 63.45 2.99 1.4661 7 1 1 68.88 7.07 1.3631 7 3 1 68.88 2.28 1.3631 5 5 3 72.18 5.02 1.3088 8 0 0 74.13 1.00 1.2791 7 3 3 79.24 3.19 1.2090 7 5 1 79.87 12.08 1.2010 6 6 2 82.38 10.20 1.1706 8 4 0 84.26 1.41 1.1492 9 1 1 84.26 2.29 1.1492 7 5 3 89.24 2.99 1.0976 9 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.