Fluornatromicrolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090008 Siegrist T, Cava R J, Krajewski J J Materials Research Bulletin 32 (1997) 881-887 Reduced alkaline earth tantalates Note: isostructural with fluornatromicrolite CELL PARAMETERS: 10.4270 10.4270 10.4270 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Ta 0.00000 0.00000 0.00000 1.000 0.958 Ca 0.50000 0.00000 0.00000 1.000 2.440 O 0.12500 0.12500 0.31730 1.000 1.500 F 0.62500 0.12500 0.12500 1.000 2.200 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: 258.9397671 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.71 59.54 6.0200 1 1 1 28.39 42.40 3.1439 3 1 1 29.68 100.00 3.0100 2 2 2 34.40 31.90 2.6068 4 0 0 37.60 7.53 2.3921 3 3 1 45.19 6.91 2.0067 5 1 1 45.19 6.89 2.0067 3 3 3 49.45 41.20 1.8433 4 4 0 51.88 12.50 1.7625 5 3 1 58.00 6.26 1.5901 5 3 3 58.74 36.97 1.5719 6 2 2 61.63 9.36 1.5050 4 4 4 63.74 3.13 1.4601 7 1 1 63.74 4.88 1.4601 5 5 1 69.21 7.33 1.3575 7 3 1 69.21 2.41 1.3575 5 5 3 72.52 5.19 1.3034 8 0 0 74.48 1.10 1.2739 7 3 3 79.63 3.40 1.2040 7 5 1 80.26 12.76 1.1961 6 6 2 82.80 10.87 1.1658 8 4 0 84.69 2.49 1.1445 7 5 3 84.69 1.51 1.1445 9 1 1 89.71 3.18 1.0930 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.