Bahianite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060433 Moore P B, Araki T Neues Jahrbuch fur Mineralogie, Abhandlungen 126 (1976) 113-125 Bahianite, Al5Sb3O14(O,OH)2, a novel hexagonal close-packed oxide structure Locality: Serra de Mangabeira, Bahia, Brazil CELL PARAMETERS: 9.3830 11.5000 4.4070 90.000 90.990 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Sb 0.00000 0.00000 0.00000 0.900 0.185 Fe 0.00000 0.00000 0.00000 0.100 0.185 Sb 0.00000 0.26881 0.00000 1.000 0.226 Al 0.00000 0.50000 0.50000 1.000 0.382 Al 0.23644 0.13003 0.49087 0.940 0.479 Fe 0.23644 0.13003 0.49087 0.060 0.479 O 0.15710 0.00000 0.28960 1.000 0.468 O 0.32910 0.00000 -0.29050 1.000 0.376 O 0.08810 0.13080 -0.21690 1.000 0.331 O 0.16400 0.25570 0.27980 1.000 0.360 O 0.40780 0.11440 0.24870 1.000 0.453 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 10 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 31.77343842 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.18 24.40 7.2695 1 1 0 15.41 16.87 5.7500 0 2 0 18.92 79.15 4.6908 2 0 0 20.15 37.40 4.4063 0 0 1 23.47 20.45 3.7907 -1 1 1 23.75 16.50 3.7460 1 1 1 24.49 8.82 3.6347 2 2 0 25.10 28.76 3.5485 1 3 0 25.47 24.37 3.4975 0 2 1 27.53 100.00 3.2397 -2 0 1 28.02 98.80 3.1843 2 0 1 29.60 1.68 3.0176 3 1 0 31.11 20.40 2.8750 0 4 0 31.70 16.14 2.8225 -2 2 1 32.13 13.64 2.7856 2 2 1 32.29 32.45 2.7726 -1 3 1 32.50 28.46 2.7550 1 3 1 35.78 9.15 2.5093 -3 1 1 36.36 6.70 2.4706 3 1 1 36.66 54.24 2.4512 2 4 0 37.10 14.60 2.4232 3 3 0 37.35 57.84 2.4078 0 4 1 38.38 21.71 2.3454 4 0 0 40.96 10.87 2.2032 0 0 2 41.59 3.18 2.1717 4 2 0 42.02 50.32 2.1504 -2 4 1 42.33 15.45 2.1354 -3 3 1 42.83 8.87 2.1114 3 3 1 43.06 2.07 2.1007 1 1 2 44.01 2.62 2.0573 0 2 2 44.05 22.90 2.0557 4 0 1 45.16 4.97 2.0076 -2 0 2 45.80 13.51 1.9810 2 0 2 46.31 4.21 1.9604 -4 2 1 46.94 3.96 1.9357 4 2 1 48.00 1.74 1.8954 -2 2 2 48.49 6.70 1.8773 -1 3 2 48.61 1.38 1.8730 2 2 2 48.80 4.25 1.8663 1 3 2 49.20 1.31 1.8518 5 1 0 50.20 11.64 1.8174 4 4 0 52.03 2.13 1.7576 0 6 1 52.32 9.47 1.7487 0 4 2 54.35 24.21 1.6881 -4 4 1 54.44 2.59 1.6853 5 3 0 54.91 24.40 1.6722 4 4 1 55.86 35.53 1.6460 -2 4 2 56.04 5.10 1.6411 -3 3 2 56.40 39.13 1.6313 2 4 2 56.84 23.32 1.6198 -4 0 2 56.86 4.53 1.6194 3 3 2 56.90 11.12 1.6182 1 7 0 57.92 18.71 1.5921 4 0 2 58.32 7.54 1.5823 -5 3 1 58.98 7.97 1.5660 5 3 1 59.08 4.27 1.5636 6 0 0 60.32 1.08 1.5344 4 2 2 60.93 9.49 1.5205 -1 7 1 61.06 9.35 1.5176 1 7 1 62.71 7.32 1.4817 -6 0 1 63.32 2.64 1.4688 0 0 3 63.47 5.81 1.4656 6 0 1 64.02 4.23 1.4544 3 7 0 64.86 12.94 1.4375 0 8 0 65.00 1.78 1.4348 -6 2 1 65.60 1.26 1.4231 0 2 3 65.75 1.80 1.4202 6 2 1 66.22 6.10 1.4113 -4 4 2 66.36 6.06 1.4086 -2 0 3 66.72 1.01 1.4019 4 6 1 67.11 5.00 1.3948 2 0 3 67.21 2.68 1.3928 4 4 2 67.68 6.85 1.3844 -3 7 1 68.05 9.01 1.3778 3 7 1 68.24 1.91 1.3744 2 8 0 68.28 26.76 1.3736 6 4 0 68.59 1.40 1.3682 -2 2 3 69.05 3.46 1.3603 -1 3 3 69.32 1.68 1.3555 2 2 3 69.41 4.62 1.3540 1 3 3 69.72 1.48 1.3487 -5 3 2 71.65 1.53 1.3170 -6 4 1 71.85 6.96 1.3140 -2 8 1 71.97 1.42 1.3121 3 1 3 72.09 6.61 1.3102 2 8 1 72.23 13.66 1.3080 0 4 3 72.35 2.80 1.3061 -1 7 2 72.37 3.03 1.3057 6 4 1 72.59 3.97 1.3024 1 7 2 73.69 2.24 1.2856 -6 0 2 74.87 1.38 1.2683 7 1 1 75.02 1.03 1.2661 1 9 0 75.09 2.97 1.2651 7 3 0 75.11 2.08 1.2648 6 0 2 75.19 2.06 1.2636 -3 3 3 75.80 5.12 1.2549 2 4 3 75.83 2.67 1.2546 -4 0 3 76.25 1.80 1.2487 3 3 3 77.17 3.51 1.2360 5 7 0 77.95 3.46 1.2256 4 8 0 78.28 1.36 1.2213 -7 3 1 78.51 2.64 1.2183 -3 7 2 79.09 1.45 1.2108 7 3 1 79.21 2.95 1.2093 3 7 2 79.64 2.18 1.2039 0 8 2 80.46 2.66 1.1936 -5 7 1 81.04 3.47 1.1866 5 7 1 81.75 2.88 1.1780 4 8 1 82.12 3.40 1.1736 -6 4 2 82.20 3.35 1.1727 8 0 0 83.00 2.08 1.1635 2 8 2 83.50 3.02 1.1577 6 4 2 84.20 4.74 1.1499 -4 4 3 85.27 2.96 1.1382 -8 0 1 85.57 4.39 1.1349 4 4 3 87.40 1.68 1.1159 -5 3 3 88.49 1.12 1.1049 -7 3 2 88.83 6.01 1.1016 0 0 4 89.11 1.94 1.0989 5 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.