Manganotantalite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060252 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 CELL PARAMETERS: 14.4040 5.7560 5.0860 90.000 90.000 90.000 SPACE GROUP: Pbcn ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.32200 0.25000 0.970 0.630 Ti 0.00000 0.32200 0.25000 0.020 0.630 Fe 0.00000 0.32200 0.25000 0.010 0.630 Ta 0.16280 0.17700 0.73670 0.640 0.640 Nb 0.16280 0.17700 0.73670 0.360 0.640 O 0.09900 0.09400 0.05500 1.000 0.400 O 0.41900 0.11200 0.10800 1.000 1.300 O 0.75800 0.12100 0.09900 1.000 0.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 233.1086632 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.29 14.29 7.2020 2 0 0 16.59 4.37 5.3450 1 1 0 24.14 25.84 3.6870 3 1 0 24.15 15.53 3.6845 1 1 1 24.72 6.62 3.6010 4 0 0 29.93 100.00 2.9851 3 1 1 31.07 8.92 2.8780 0 2 0 33.53 1.10 2.6725 2 2 0 35.29 15.54 2.5430 0 0 2 35.85 16.81 2.5048 0 2 1 37.46 9.56 2.4007 6 0 0 37.51 1.82 2.3979 2 0 2 38.04 1.91 2.3658 2 2 1 39.20 1.11 2.2982 5 1 1 40.13 1.55 2.2473 3 0 2 40.63 2.38 2.2208 3 2 1 43.22 7.98 2.0934 3 1 2 43.57 1.99 2.0772 4 0 2 44.04 3.24 2.0563 4 2 1 47.72 6.79 1.9057 0 2 2 47.83 1.20 1.9019 1 3 0 49.44 6.39 1.8435 6 2 0 50.40 3.27 1.8107 7 1 1 51.28 13.41 1.7817 3 3 0 52.41 14.55 1.7457 6 0 2 52.82 19.76 1.7332 6 2 1 54.48 1.11 1.6843 4 2 2 56.99 1.20 1.6160 1 1 3 60.00 1.03 1.5419 9 1 0 60.07 12.93 1.5403 3 1 3 60.82 1.25 1.5230 1 3 2 62.20 4.81 1.4926 6 2 2 62.99 11.36 1.4756 9 1 1 63.71 6.12 1.4607 0 2 3 63.78 12.35 1.4592 3 3 2 67.66 5.48 1.3846 0 4 1 71.56 2.03 1.3185 9 1 2 73.24 1.09 1.2924 4 4 1 74.35 1.03 1.2759 7 1 3 74.65 1.49 1.2715 0 0 4 76.31 2.82 1.2479 6 2 3 77.70 3.08 1.2290 9 3 0 77.73 1.12 1.2286 7 3 2 79.78 1.14 1.2020 3 1 4 79.92 1.97 1.2003 12 0 0 79.99 5.64 1.1994 6 4 1 83.03 1.02 1.1631 0 2 4 85.04 3.65 1.1407 9 1 3 86.64 2.80 1.1236 6 0 4 87.05 1.38 1.1195 3 5 0 88.32 4.71 1.1066 9 3 2 89.29 1.93 1.0971 0 4 3 89.68 2.09 1.0933 3 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.