Ferrotapiolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050358 Eicher S M, Greedan J E, Lushington K J Journal of Solid State Chemistry 62 (1986) 220-230 The magnetic properties of FeTa2O6. Magnetic structure and low-dimensional behavior Locality: synthetic CELL PARAMETERS: 4.7495 4.7495 9.2050 90.000 90.000 90.000 SPACE GROUP: P4_2/mnm ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.00000 0.00000 1.000 0.700 Ta 0.00000 0.00000 0.33300 1.000 0.500 O 0.30700 0.30700 0.00000 1.000 0.400 O 0.29700 0.29700 0.32200 1.000 0.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 310.5288854 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.28 9.57 4.6025 0 0 2 21.05 28.05 4.2208 1 0 1 26.54 100.00 3.3584 1 1 0 33.02 9.19 2.7129 1 1 2 34.81 80.70 2.5773 1 0 3 37.89 24.67 2.3747 2 0 0 39.15 1.03 2.3012 0 0 4 39.79 2.61 2.2653 1 1 3 42.85 4.12 2.1104 2 0 2 43.74 8.35 2.0697 2 1 1 47.92 3.10 1.8983 1 1 4 52.39 62.68 1.7464 2 1 3 53.37 2.51 1.7166 1 0 5 54.66 15.81 1.6792 2 2 0 55.61 2.46 1.6526 2 0 4 58.51 2.14 1.5775 2 2 2 59.22 1.64 1.5603 3 0 1 60.33 6.26 1.5342 0 0 6 61.77 15.37 1.5019 3 1 0 65.36 2.82 1.4278 3 1 2 66.45 17.31 1.4069 3 0 3 67.07 13.38 1.3955 1 1 6 67.30 2.72 1.3912 2 1 5 69.27 1.00 1.3565 2 2 4 72.48 2.10 1.3040 3 2 1 73.49 7.48 1.2886 2 0 6 75.60 1.86 1.2577 3 1 4 79.12 12.68 1.2104 3 2 3 80.97 4.03 1.1874 4 0 0 84.83 1.33 1.1430 4 1 1 85.79 7.58 1.1326 2 2 6 87.05 3.71 1.1195 3 3 0 87.18 1.10 1.1181 2 1 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.