Redledgeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070714 Foley J A, Hughes J M, Drexler J W The Canadian Mineralogist 35 (1997) 1531-1534 Redledgeite, Bax([Cr,Fe,V]2xTi8-2x)O16, the I4/m structure and elucidation of the sequence of tunnel Ba cations CELL PARAMETERS: 10.1130 10.1130 2.9500 90.000 90.000 90.000 SPACE GROUP: I4/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00000 0.00000 0.00000 0.525 2.140 Ba 0.00000 0.00000 0.19500 0.018 0.500 Ti 0.15023 0.66609 0.00000 1.000 0.620 O 0.04010 0.33340 0.00000 1.000 0.740 O 0.29600 0.34460 0.00000 1.000 0.670 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 2 MAX. ABS. INTENSITY / VOLUME**2: 42.03627365 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.38 1.43 7.1510 1 1 0 17.54 7.85 5.0565 2 0 0 24.90 19.21 3.5755 2 2 0 27.90 66.92 3.1980 3 1 0 27.90 33.08 3.1980 1 3 0 31.59 9.35 2.8320 1 0 1 35.51 3.61 2.5282 4 0 0 36.36 7.13 2.4708 1 2 1 36.36 37.17 2.4708 2 1 1 39.87 11.57 2.2613 4 2 0 39.87 4.97 2.2613 2 4 0 40.64 37.83 2.2200 3 0 1 44.58 7.22 2.0327 2 3 1 45.75 5.63 1.9833 1 5 0 48.25 4.23 1.8860 4 1 1 48.25 22.18 1.8860 1 4 1 51.09 3.43 1.7877 4 4 0 52.78 2.54 1.7344 5 3 0 54.44 19.45 1.6855 6 0 0 55.05 1.58 1.6682 3 4 1 58.24 4.38 1.5842 2 5 1 58.24 23.93 1.5842 5 2 1 63.02 8.04 1.4750 0 0 2 64.32 4.31 1.4484 1 6 1 67.24 18.47 1.3924 4 5 1 67.24 1.69 1.3924 5 4 1 68.86 1.17 1.3635 2 2 2 70.10 1.42 1.3424 6 3 1 70.10 1.59 1.3424 3 6 1 70.28 5.68 1.3394 3 1 2 70.28 2.73 1.3394 1 3 2 70.98 2.48 1.3279 7 3 0 70.98 3.76 1.3279 3 7 0 72.91 1.11 1.2975 7 0 1 75.67 1.35 1.2568 2 7 1 77.22 1.64 1.2354 4 2 2 80.61 2.80 1.1918 6 6 0 81.95 1.08 1.1756 7 5 0 83.80 1.03 1.1543 8 1 1 87.31 2.84 1.1168 9 1 0 87.98 6.38 1.1100 6 0 2 89.14 1.15 1.0985 8 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.