Magnesiotaaffeite-6N3S Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of X090002 Nuber B, Schmetzer K Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 393-402 Crystal structure of ternary Be-Mg-Al oxides: taaffeite, BeMg3Al8O16, and musgravite, BeMg2Al6O12 Note: formerly known as musgravite-18R Locality: Musgrave Ranges, Australia CELL PARAMETERS: 5.6660 5.6660 41.0500 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Mg 0.33333 0.66667 0.12020 0.940 0.340 Fe 0.33333 0.66667 0.12020 0.060 0.340 Mg 0.66667 0.33333 0.01370 0.690 0.355 Fe 0.66667 0.33333 0.01370 0.310 0.355 Al 0.00000 0.00000 0.00000 1.000 0.442 Al 0.16680 0.33360 0.05730 1.000 0.355 Al 0.00000 0.50000 0.50000 1.000 0.379 Al 0.66667 0.33333 0.09670 1.000 0.221 Be 0.00000 0.00000 0.12100 1.000 0.355 O 0.29360 0.14680 0.02990 1.000 0.490 O 0.33333 0.66667 0.03410 1.000 0.458 O 0.49460 0.98920 0.08250 1.000 0.442 O 0.00000 0.00000 0.08150 1.000 0.418 O 0.14620 0.29240 0.14080 1.000 0.403 O 0.66667 0.33333 0.14020 1.000 0.355 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 37 MAX. ABS. INTENSITY / VOLUME**2: 9.137195500 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.46 14.42 13.6833 0 0 3 18.21 3.10 4.8722 1 0 1 19.46 22.19 4.5611 0 0 9 21.09 18.33 4.2119 0 1 5 23.64 2.20 3.7633 1 0 7 25.11 6.49 3.5464 0 1 8 26.05 1.10 3.4208 0 0 12 28.35 10.75 3.1485 1 0 10 30.08 10.57 2.9704 0 1 11 31.58 30.30 2.8330 1 1 0 32.27 4.01 2.7742 1 1 3 33.75 51.81 2.6554 1 0 13 34.26 2.21 2.6175 1 1 6 35.67 23.53 2.5170 0 1 14 36.69 4.83 2.4491 0 2 1 36.90 17.35 2.4361 2 0 2 37.37 100.00 2.4066 1 1 9 37.70 11.43 2.3862 0 2 4 38.29 19.64 2.3507 2 0 5 39.52 1.22 2.2806 0 0 18 39.64 10.65 2.2736 1 0 16 39.83 27.09 2.2634 0 2 7 42.95 11.05 2.1060 0 2 10 44.18 58.85 2.0501 2 0 11 46.90 3.08 1.9374 0 2 13 48.37 16.56 1.8816 2 0 14 49.18 1.96 1.8527 2 1 1 51.54 6.32 1.7732 0 2 16 52.46 3.73 1.7442 1 2 8 52.47 2.49 1.7441 1 0 22 53.22 10.99 1.7210 2 0 17 54.73 2.00 1.6773 0 1 23 56.24 4.04 1.6356 3 0 0 56.78 5.26 1.6214 0 2 19 57.64 28.97 1.5992 2 1 13 57.97 1.79 1.5908 3 0 6 58.64 2.10 1.5743 2 0 20 58.92 13.51 1.5674 1 2 14 59.35 1.72 1.5571 1 0 25 60.09 10.79 1.5396 0 3 9 60.09 12.56 1.5396 3 0 9 60.94 2.37 1.5204 0 0 27 61.72 7.96 1.5030 2 1 16 62.54 46.30 1.4852 0 2 22 62.99 1.14 1.4756 3 0 12 63.22 2.78 1.4709 1 2 17 64.57 20.37 1.4433 2 0 23 65.95 76.61 1.4165 2 2 0 68.80 17.78 1.3646 0 2 25 69.48 2.46 1.3528 2 2 9 70.09 1.44 1.3426 3 1 5 70.99 8.47 1.3277 2 0 26 74.17 3.01 1.2785 1 0 31 76.17 7.25 1.2498 1 3 13 77.29 3.80 1.2344 3 1 14 77.67 2.30 1.2294 2 1 25 78.04 1.21 1.2245 0 4 2 78.53 2.62 1.2181 4 0 4 78.90 3.03 1.2133 0 4 5 79.77 2.93 1.2023 1 3 16 81.98 1.04 1.1754 4 0 10 82.83 4.19 1.1654 0 4 11 82.84 1.57 1.1653 0 2 31 85.04 1.99 1.1407 0 1 35 85.08 2.47 1.1403 0 0 36 85.88 1.97 1.1317 0 4 14 89.04 1.05 1.0995 1 3 22 89.64 1.72 1.0937 0 4 17 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.