Magnesiotaaffeite-2N2S Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070555 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: 5.6880 5.6880 18.3760 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: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 8.201964024 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.63 1.76 9.1880 0 0 2 18.01 5.07 4.9260 1 0 0 18.65 13.42 4.7580 1 0 1 19.32 28.35 4.5940 0 0 4 20.46 20.93 4.3414 1 0 2 23.17 7.65 3.8387 1 0 3 26.53 5.77 3.3597 1 0 4 30.34 24.37 2.9457 1 0 5 31.46 26.54 2.8440 1 1 0 32.97 2.27 2.7168 1 1 2 34.48 52.48 2.6009 1 0 6 36.82 23.89 2.4411 2 0 1 37.18 100.00 2.4181 1 1 4 37.82 33.49 2.3790 2 0 2 38.87 16.25 2.3167 1 0 7 39.22 1.35 2.2970 0 0 8 39.43 7.20 2.2852 2 0 3 41.61 25.38 2.1707 2 0 4 44.27 68.13 2.0460 2 0 5 47.36 38.26 1.9193 2 0 6 49.19 1.05 1.8524 2 1 1 50.83 1.76 1.7962 2 0 7 53.07 1.03 1.7255 2 1 4 53.20 3.11 1.7217 1 0 10 54.64 9.51 1.6798 2 0 8 55.31 5.70 1.6609 2 1 5 56.00 3.61 1.6420 3 0 0 57.97 31.64 1.5909 2 1 6 58.17 2.06 1.5860 3 0 3 58.33 1.92 1.5820 1 0 11 58.74 12.44 1.5719 2 0 9 59.81 23.48 1.5462 3 0 4 60.45 2.23 1.5313 0 0 12 61.01 16.63 1.5187 2 1 7 61.89 1.34 1.4992 3 0 5 63.12 53.67 1.4728 2 0 10 64.42 1.19 1.4464 2 1 8 65.66 81.27 1.4220 2 2 0 67.78 34.62 1.3825 2 0 11 68.16 1.03 1.3757 2 1 9 69.15 3.20 1.3584 2 2 4 69.57 1.22 1.3514 3 1 2 72.71 1.75 1.3005 2 0 12 74.03 2.07 1.2806 3 1 5 74.87 3.03 1.2683 1 0 14 76.32 8.01 1.2477 3 1 6 76.63 2.07 1.2434 2 1 11 77.72 2.41 1.2287 4 0 1 77.93 1.27 1.2260 2 0 13 78.34 4.75 1.2206 4 0 2 79.01 4.35 1.2119 3 1 7 80.80 1.63 1.1895 4 0 4 80.85 2.59 1.1889 1 0 15 82.63 5.64 1.1677 4 0 5 83.45 1.50 1.1583 2 0 14 84.33 3.72 1.1485 0 0 16 84.86 3.99 1.1426 4 0 6 87.14 1.05 1.1185 1 0 16 89.36 1.49 1.0964 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.