Ixiolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070495 Grice J D, Ferguson R B, Hawthorne F C The Canadian Mineralogist 14 (1976) 540-549 The crystal structures of tantalite, ixiolite and wodginite from Bernic lake, Manitoba I. Tantalite and ixiolite Locality: Bernic lake, Manitoba, Canada _database_code_amcsd 0005132 CELL PARAMETERS: 4.7590 5.7380 5.1540 90.000 90.000 90.000 SPACE GROUP: Pbcn ATOM X Y Z OCCUPANCY ISO(B) Ta 0.00000 0.33170 0.25000 0.420 1.910 Mn 0.00000 0.33170 0.25000 0.300 1.910 Nb 0.00000 0.33170 0.25000 0.240 1.910 Ti 0.00000 0.33170 0.25000 0.020 1.910 Sn 0.00000 0.33170 0.25000 0.005 1.910 Fe 0.00000 0.33170 0.25000 0.002 1.910 O 0.72240 0.12170 0.41580 1.000 2.800 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 199.4185387 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 24.30 33.53 3.6631 1 1 0 29.93 100.00 2.9858 1 1 1 31.17 7.83 2.8690 0 2 0 34.81 16.64 2.5770 0 0 2 35.82 21.09 2.5068 0 2 1 37.81 9.75 2.3795 2 0 0 39.78 1.48 2.2661 1 0 2 40.68 2.65 2.2179 1 2 1 42.91 10.54 2.1077 1 1 2 47.42 4.55 1.9172 0 2 2 49.78 3.91 1.8315 2 2 0 51.49 13.15 1.7747 1 3 0 52.33 14.37 1.7482 2 0 2 53.06 20.73 1.7258 2 2 1 59.42 11.87 1.5554 1 1 3 60.56 1.21 1.5290 3 1 0 62.18 3.29 1.4929 2 2 2 63.07 6.53 1.4739 0 2 3 63.46 9.44 1.4658 3 1 1 63.67 11.13 1.4616 1 3 2 65.02 1.13 1.4345 0 4 0 67.81 3.57 1.3820 0 4 1 71.79 1.96 1.3149 3 1 2 73.50 1.36 1.2885 0 0 4 75.94 2.80 1.2530 2 2 3 78.30 2.32 1.2210 3 3 0 78.73 1.17 1.2155 1 1 4 80.35 3.66 1.1950 2 4 1 80.78 1.47 1.1897 4 0 0 84.90 2.61 1.1422 3 1 3 85.75 2.20 1.1330 2 0 4 88.64 3.58 1.1034 3 3 2 88.87 1.29 1.1011 0 4 3 89.99 2.25 1.0904 1 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.