Manganocolumbite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040083 Tarantino S C, Zema M American Mineralogist 90 (2005) 1291-1300 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A. CELL PARAMETERS: 14.3170 5.7444 5.1089 90.000 90.000 90.000 SPACE GROUP: Pbcn ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.32435 0.25000 0.534 0.624 Mn 0.00000 0.32435 0.25000 0.457 0.624 Ti 0.00000 0.32435 0.25000 0.007 0.624 Sn 0.00000 0.32435 0.25000 0.001 0.624 Ca 0.00000 0.32435 0.25000 0.001 0.624 Nb 0.16206 0.17992 0.74297 0.918 0.497 Ta 0.16206 0.17992 0.74297 0.047 0.497 Ti 0.16206 0.17992 0.74297 0.028 0.497 W 0.16206 0.17992 0.74297 0.007 0.497 O 0.09738 0.10110 0.06330 1.000 0.663 O 0.08183 0.38420 0.59630 1.000 0.774 O 0.24378 0.12460 0.41380 1.000 0.632 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 122.8315729 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.36 4.99 7.1585 2 0 0 16.63 1.54 5.3313 1 1 0 24.13 7.34 3.6886 1 1 1 24.25 25.21 3.6708 3 1 0 24.88 3.73 3.5793 4 0 0 29.97 100.00 2.9811 3 1 1 31.14 9.42 2.8722 0 2 0 35.13 13.15 2.5545 0 0 2 35.87 13.54 2.5037 0 2 1 37.70 6.61 2.3862 6 0 0 40.04 2.85 2.2521 3 0 2 40.70 5.16 2.2171 3 2 1 43.14 7.38 2.0967 3 1 2 44.14 1.26 2.0516 4 2 1 47.64 7.05 1.9088 0 2 2 49.67 6.33 1.8354 6 2 0 50.63 1.75 1.8028 7 1 1 51.42 12.63 1.7771 3 3 0 52.48 15.74 1.7437 6 0 2 53.01 19.83 1.7273 6 2 1 54.68 1.27 1.6784 3 3 1 59.87 13.13 1.5448 3 1 3 62.29 4.83 1.4905 6 2 2 63.34 10.67 1.4684 9 1 1 63.51 7.20 1.4648 0 2 3 63.80 11.49 1.4588 3 3 2 67.78 5.25 1.3825 0 4 1 71.81 1.88 1.3145 9 1 2 74.25 1.43 1.2772 0 0 4 76.27 1.87 1.2484 6 2 3 78.11 2.66 1.2236 9 3 0 79.45 1.10 1.2063 3 1 4 80.25 5.33 1.1962 6 4 1 80.50 2.05 1.1931 12 0 0 82.69 1.11 1.1670 0 2 4 85.16 3.43 1.1394 9 1 3 86.41 2.98 1.1261 6 0 4 87.29 1.40 1.1170 3 5 0 88.63 4.45 1.1035 9 3 2 89.21 1.92 1.0978 0 4 3 89.90 1.68 1.0912 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.