Osumilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060385 Brown G E, Gibbs G V American Mineralogist 54 (1969) 101-116 Refinement of the crystal structure of osumilite CELL PARAMETERS: 10.1407 10.1407 14.3028 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.25000 0.710 3.600 Na 0.00000 0.00000 0.25000 0.280 3.600 Ca 0.00000 0.00000 0.25000 0.010 3.600 Mg 0.33330 0.66670 0.25000 0.460 0.900 Fe 0.33330 0.66670 0.25000 0.460 0.900 Mn 0.33330 0.66670 0.25000 0.080 0.900 Si 0.10370 0.35130 0.10850 0.850 1.250 Al 0.10370 0.35130 0.10850 0.150 1.250 Al 0.50000 0.00000 0.25000 0.880 1.310 Fe 0.50000 0.00000 0.25000 0.120 1.310 O 0.12160 0.40460 0.00000 1.000 2.500 O 0.21420 0.28370 0.13160 1.000 2.400 O 0.13720 0.49130 0.17890 1.000 1.800 Wa 0.03100 0.11400 0.00000 0.166 9.000 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 9.347763263 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.37 / 12.40 44.61 / 22.31 7.1514 0 0 2 15.97 / 16.01 42.33 / 21.17 5.5454 1 0 2 17.48 / 17.52 34.14 / 17.07 5.0704 1 1 0 20.21 / 20.26 10.28 / 5.14 4.3911 2 0 0 21.47 / 21.52 45.08 / 22.54 4.1362 1 1 2 23.76 / 23.82 35.54 / 17.77 3.7420 2 0 2 24.88 / 24.94 14.97 / 7.48 3.5757 0 0 4 26.84 / 26.90 2.47 / 1.24 3.3193 2 1 0 26.90 / 26.97 15.06 / 7.53 3.3117 1 0 4 27.56 / 27.63 100.00 / 50.00 3.2334 2 1 1 29.65 / 29.72 15.46 / 7.73 3.0108 2 1 2 30.51 / 30.59 6.00 / 3.00 2.9274 3 0 0 30.57 / 30.65 65.16 / 32.58 2.9221 1 1 4 32.26 / 32.34 51.57 / 25.78 2.7727 2 0 4 32.85 / 32.93 10.51 / 5.26 2.7241 2 1 3 35.38 / 35.47 20.66 / 10.33 2.5352 2 2 0 36.87 / 36.97 4.77 / 2.39 2.4357 3 1 0 37.42 / 37.52 4.80 / 2.40 2.4011 3 1 1 37.61 / 37.71 11.55 / 5.78 2.3895 2 2 2 41.60 / 41.71 7.61 / 3.81 2.1690 3 1 3 43.06 / 43.17 3.60 / 1.80 2.0988 4 0 2 43.73 / 43.85 3.11 / 1.56 2.0681 2 2 4 44.95 / 45.07 4.84 / 2.42 2.0148 3 2 0 45.00 / 45.11 14.78 / 7.39 2.0130 3 1 4 46.88 / 47.01 1.19 / 0.60 1.9362 2 1 6 47.40 / 47.52 5.54 / 2.77 1.9164 4 1 0 47.85 / 47.98 9.75 / 4.87 1.8994 4 1 1 48.62 / 48.75 1.01 / 0.51 1.8710 4 0 4 49.08 / 49.21 17.23 / 8.62 1.8545 3 1 5 49.18 / 49.31 6.17 / 3.09 1.8511 4 1 2 49.25 / 49.39 5.57 / 2.79 1.8485 3 0 6 51.04 / 51.18 8.99 / 4.49 1.7879 0 0 8 52.02 / 52.16 6.30 / 3.15 1.7564 5 0 0 52.66 / 52.80 19.51 / 9.75 1.7367 2 2 6 53.76 / 53.91 1.00 / 0.50 1.7037 3 1 6 54.23 / 54.37 2.60 / 1.30 1.6901 3 3 0 54.26 / 54.41 4.24 / 2.12 1.6891 4 1 4 55.31 / 55.46 3.13 / 1.56 1.6597 4 2 0 55.44 / 55.59 1.31 / 0.65 1.6559 2 0 8 55.71 / 55.86 1.08 / 0.54 1.6486 4 2 1 55.85 / 56.00 1.76 / 0.88 1.6448 3 3 2 57.87 / 58.03 2.87 / 1.43 1.5921 4 1 5 58.85 / 59.01 3.51 / 1.75 1.5678 5 1 1 60.01 / 60.18 2.30 / 1.15 1.5403 5 1 2 60.08 / 60.24 1.96 / 0.98 1.5388 3 2 6 60.54 / 60.71 6.38 / 3.19 1.5280 3 3 4 60.64 / 60.81 3.41 / 1.71 1.5258 3 0 8 61.91 / 62.08 1.93 / 0.97 1.4975 5 1 3 63.63 / 63.81 10.90 / 5.45 1.4611 2 2 8 64.52 / 64.70 2.06 / 1.03 1.4431 5 1 4 64.90 / 65.08 3.26 / 1.63 1.4355 4 2 5 64.98 / 65.16 8.27 / 4.13 1.4340 6 0 2 65.01 / 65.19 2.19 / 1.10 1.4334 2 1 9 66.43 / 66.61 8.83 / 4.42 1.4063 5 2 0 66.79 / 66.98 4.20 / 2.10 1.3995 5 2 1 66.88 / 67.07 1.53 / 0.77 1.3978 4 1 7 67.79 / 67.98 1.85 / 0.92 1.3812 5 1 5 68.05 / 68.24 2.50 / 1.25 1.3766 1 1 10 68.88 / 69.07 1.78 / 0.89 1.3621 4 2 6 69.00 / 69.20 1.54 / 0.77 1.3600 2 0 10 69.31 / 69.51 6.11 / 3.06 1.3546 6 0 4 69.65 / 69.85 1.66 / 0.83 1.3488 5 2 3 70.34 / 70.54 2.05 / 1.02 1.3373 3 2 8 70.72 / 70.93 7.46 / 3.73 1.3310 3 1 9 71.81 / 72.01 2.39 / 1.19 1.3135 2 1 10 72.11 / 72.32 3.21 / 1.61 1.3087 5 2 4 73.40 / 73.61 2.05 / 1.03 1.2889 4 3 5 75.75 / 75.98 1.29 / 0.64 1.2546 7 0 0 76.22 / 76.44 1.76 / 0.88 1.2481 4 4 2 78.05 / 78.28 2.16 / 1.08 1.2233 4 1 9 78.58 / 78.82 2.11 / 1.06 1.2164 4 2 8 78.82 / 79.06 1.47 / 0.74 1.2133 5 3 3 78.98 / 79.22 3.65 / 1.82 1.2112 5 2 6 79.02 / 79.26 2.65 / 1.32 1.2107 2 1 11 79.82 / 80.06 1.35 / 0.67 1.2006 6 2 2 79.99 / 80.23 1.33 / 0.66 1.1984 4 0 10 80.29 / 80.53 5.34 / 2.67 1.1947 4 4 4 84.20 / 84.46 1.19 / 0.59 1.1489 5 3 5 86.59 / 86.86 1.31 / 0.65 1.1232 4 3 8 88.27 / 88.55 1.14 / 0.57 1.1062 7 1 4 88.36 / 88.63 3.91 / 1.95 1.1053 5 2 8 89.12 / 89.41 1.62 / 0.81 1.0978 8 0 0 89.74 / 90.03 1.28 / 0.64 1.0918 3 3 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.