Ixiolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070289 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: 4.7410 5.7330 5.1420 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 1.897 Mn 0.00000 0.33170 0.25000 0.300 1.897 Nb 0.00000 0.33170 0.25000 0.240 1.897 Ti 0.00000 0.33170 0.25000 0.020 1.897 Sn 0.00000 0.33170 0.25000 0.005 1.897 Fe 0.00000 0.33170 0.25000 0.002 1.897 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: 200.9402002 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 24.36 33.53 3.6536 1 1 0 30.00 100.00 2.9783 1 1 1 31.20 7.86 2.8665 0 2 0 34.90 16.65 2.5710 0 0 2 35.87 21.17 2.5037 0 2 1 37.96 9.72 2.3705 2 0 0 39.89 1.47 2.2601 1 0 2 40.76 2.64 2.2140 1 2 1 43.02 10.53 2.1026 1 1 2 47.51 4.56 1.9139 0 2 2 49.92 3.90 1.8268 2 2 0 51.56 13.19 1.7724 1 3 0 52.51 14.31 1.7428 2 0 2 53.21 20.69 1.7214 2 2 1 59.58 11.85 1.5517 1 1 3 60.80 1.20 1.5235 3 1 0 62.36 3.29 1.4891 2 2 2 63.21 6.53 1.4711 0 2 3 63.71 9.39 1.4607 3 1 1 63.78 11.15 1.4593 1 3 2 65.08 1.14 1.4332 0 4 0 67.89 3.59 1.3806 0 4 1 72.06 1.95 1.3107 3 1 2 73.70 1.36 1.2855 0 0 4 76.16 2.81 1.2499 2 2 3 78.55 2.32 1.2179 3 3 0 78.95 1.18 1.2126 1 1 4 80.51 3.67 1.1930 2 4 1 81.15 1.46 1.1853 4 0 0 85.22 2.61 1.1387 3 1 3 86.03 2.20 1.1300 2 0 4 88.93 3.58 1.1006 3 3 2 89.04 1.30 1.0995 0 4 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.