Magnesiotaaffeite-2N2S Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090035. 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 taaffeite-8H Locality: Miriella Village, Ratnapura, Sri Lanka CELL PARAMETERS: 5.6840 5.6840 18.3530 90.000 90.000 120.000 SPACE GROUP: P6_3mc ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 1.000 0.442 Mg 0.00000 0.00000 0.20090 1.000 0.174 Mg 0.66667 0.33333 0.26660 1.000 0.150 Al 0.33333 0.66667 -0.04940 1.000 0.387 Al 0.33300 0.16650 -0.13920 1.000 0.411 Al 0.99760 0.49880 0.10650 1.000 0.411 Al 0.33333 0.66667 0.23250 1.000 0.395 Be 0.66667 0.33333 0.00420 1.000 0.411 O 0.00000 0.00000 -0.19170 1.000 0.482 O 0.51780 0.03560 -0.20080 1.000 0.568 O 0.66667 0.33333 -0.08480 1.000 0.466 O 0.16220 0.32440 -0.08250 1.000 0.450 O 0.33333 0.66667 0.04790 1.000 0.347 O 0.37020 0.18510 0.04750 1.000 0.379 O 0.66667 0.33333 0.16250 1.000 0.490 O 0.18540 0.37070 0.16590 1.000 0.418 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 8.224588674 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.64 1.76 9.1765 0 0 2 18.02 5.08 4.9225 1 0 0 18.66 13.43 4.7544 1 0 1 19.35 28.33 4.5883 0 0 4 20.47 20.93 4.3378 1 0 2 23.19 7.65 3.8351 1 0 3 26.56 5.77 3.3563 1 0 4 30.38 24.36 2.9426 1 0 5 31.48 26.56 2.8420 1 1 0 32.99 2.28 2.7148 1 1 2 34.52 52.45 2.5981 1 0 6 36.85 23.90 2.4394 2 0 1 37.21 100.00 2.4161 1 1 4 37.85 33.50 2.3772 2 0 2 38.92 16.24 2.3141 1 0 7 39.27 1.34 2.2941 0 0 8 39.46 7.19 2.2834 2 0 3 41.64 25.37 2.1689 2 0 4 44.31 68.08 2.0442 2 0 5 47.41 38.23 1.9176 2 0 6 49.23 1.05 1.8510 2 1 1 50.89 1.76 1.7945 2 0 7 53.12 1.03 1.7242 2 1 4 53.27 3.11 1.7197 1 0 10 54.69 9.49 1.6782 2 0 8 55.36 5.70 1.6595 2 1 5 56.05 3.61 1.6408 3 0 0 58.02 31.62 1.5896 2 1 6 58.21 2.06 1.5848 3 0 3 58.40 1.91 1.5802 1 0 11 58.81 12.42 1.5703 2 0 9 59.86 23.48 1.5450 3 0 4 60.54 2.23 1.5294 0 0 12 61.07 16.62 1.5173 2 1 7 61.95 1.34 1.4980 3 0 5 63.20 53.58 1.4713 2 0 10 64.48 1.19 1.4450 2 1 8 65.71 81.24 1.4210 2 2 0 67.86 34.56 1.3810 2 0 11 68.24 1.03 1.3744 2 1 9 69.21 3.20 1.3574 2 2 4 69.62 1.22 1.3504 3 1 2 72.80 1.75 1.2990 2 0 12 74.09 2.07 1.2796 3 1 5 74.97 3.03 1.2668 1 0 14 76.39 8.01 1.2467 3 1 6 76.72 2.06 1.2421 2 1 11 77.78 2.41 1.2279 4 0 1 78.03 1.27 1.2246 2 0 13 78.40 4.75 1.2197 4 0 2 79.08 4.35 1.2109 3 1 7 80.87 1.62 1.1886 4 0 4 80.97 2.59 1.1874 1 0 15 82.71 5.64 1.1668 4 0 5 83.56 1.49 1.1570 2 0 14 84.46 3.71 1.1471 0 0 16 84.95 3.99 1.1417 4 0 6 87.27 1.05 1.1171 1 0 16 89.46 1.49 1.0954 3 1 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.