Liddicoatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060969 Aurisicchio C, Demartin F, Ottolini L, Pezzotta F European Journal of Mineralogy 11 (1999) 237-242 Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 Locality: Madagascar CELL PARAMETERS: 15.8400 15.8400 7.1050 90.000 90.000 120.000 SPACE GROUP: R3m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.23390 0.483 0.643 Na 0.00000 0.00000 0.23390 0.412 0.643 K 0.00000 0.00000 0.23390 0.105 0.643 Li 0.93831 0.06169 0.62890 0.667 0.673 Al 0.93831 0.06169 0.62890 0.333 0.673 Al 0.29730 0.26033 0.61097 1.000 0.466 Si 0.19208 0.19020 -0.00105 1.000 0.377 B 0.10932 0.89068 0.45280 1.000 0.560 O 0.98870 0.01130 0.78680 0.667 1.240 OH 0.98870 0.01130 0.78680 0.333 1.240 OH 0.26950 0.13475 0.50850 1.000 0.840 O 0.06062 0.93938 0.47820 1.000 1.600 O 0.09253 0.18506 0.07190 1.000 0.730 O 0.18490 0.09245 0.09380 1.000 0.760 O 0.19663 0.18679 0.77510 1.000 0.660 O 0.28586 0.28578 0.08030 1.000 0.570 O 0.20966 0.27029 0.44090 1.000 0.680 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 6.382073650 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.17 2.84 7.9200 1 1 0 14.04 11.75 6.3090 1 0 1 17.98 36.16 4.9347 0 2 1 19.41 33.26 4.5726 3 0 0 21.21 49.36 4.1882 2 1 1 22.45 57.21 3.9600 2 2 0 25.91 29.07 3.4391 0 1 2 26.58 23.20 3.3540 1 3 1 28.29 1.51 3.1545 2 0 2 28.91 12.43 3.0885 4 0 1 29.85 39.34 2.9935 4 1 0 30.50 100.00 2.9306 1 2 2 31.08 2.87 2.8775 3 2 1 33.96 2.53 2.6400 3 3 0 34.54 11.94 2.5966 3 1 2 35.06 91.30 2.5594 0 5 1 36.41 1.04 2.4673 0 4 2 36.91 2.08 2.4354 2 4 1 37.99 10.49 2.3683 0 0 3 38.21 12.28 2.3557 2 3 2 38.68 28.96 2.3278 5 1 1 39.41 6.52 2.2863 6 0 0 39.72 3.04 2.2691 1 1 3 41.59 5.32 2.1714 5 0 2 42.03 14.55 2.1495 4 3 1 43.01 4.96 2.1030 0 3 3 43.01 5.35 2.1030 3 0 3 43.20 17.28 2.0941 4 2 2 44.58 18.12 2.0326 2 2 3 44.76 35.80 2.0245 1 5 2 45.18 4.39 2.0068 1 6 1 45.83 4.88 1.9800 4 4 0 47.77 36.92 1.9040 3 4 2 48.17 1.86 1.8891 7 0 1 49.05 1.67 1.8573 1 4 3 49.05 1.18 1.8573 4 1 3 49.61 7.01 1.8376 6 2 1 50.64 1.95 1.8026 6 1 2 51.86 4.65 1.7629 3 3 3 51.91 6.74 1.7615 1 0 4 53.39 1.35 1.7159 0 7 2 53.76 1.91 1.7051 5 4 1 54.74 3.81 1.6770 2 6 2 55.90 13.98 1.6449 0 6 3 55.90 3.66 1.6449 6 0 3 56.41 17.88 1.6311 2 7 1 58.25 17.04 1.5840 5 5 0 58.52 2.67 1.5772 4 0 4 58.63 4.62 1.5745 4 5 2 58.98 3.04 1.5661 8 1 1 59.78 2.61 1.5469 3 2 4 59.90 1.06 1.5442 8 0 2 60.24 4.73 1.5363 4 6 1 60.77 6.78 1.5242 9 0 0 61.14 8.19 1.5157 7 2 2 62.00 3.06 1.4967 8 2 0 62.27 14.55 1.4910 0 5 4 63.49 4.37 1.4653 2 4 4 63.60 2.81 1.4631 1 8 2 64.66 6.00 1.4416 1 7 3 64.66 1.31 1.4416 7 1 3 64.69 18.11 1.4408 5 1 4 64.80 3.72 1.4387 6 4 2 65.63 3.65 1.4225 7 4 0 66.11 3.47 1.4134 0 1 5 66.32 3.98 1.4094 6 5 1 66.32 3.06 1.4094 1 9 1 67.04 1.49 1.3961 3 6 3 67.04 6.29 1.3961 6 3 3 67.07 12.68 1.3954 4 3 4 68.67 1.33 1.3668 3 8 1 69.83 9.83 1.3469 10 0 1 70.67 1.98 1.3330 5 6 2 71.47 3.42 1.3200 6 6 0 71.68 2.86 1.3167 5 5 3 71.71 2.10 1.3161 3 5 4 71.92 5.51 1.3128 0 4 5 72.61 15.41 1.3020 10 1 0 72.85 1.55 1.2983 6 2 4 72.96 2.97 1.2967 8 3 2 73.06 1.10 1.2951 2 3 5 73.26 1.26 1.2920 5 7 1 74.39 2.69 1.2752 8 4 1 74.87 4.46 1.2682 9 3 0 75.08 2.70 1.2652 2 8 3 75.32 10.45 1.2618 5 0 5 76.23 6.74 1.2489 5 4 4 77.45 1.77 1.2323 7 5 2 77.55 2.43 1.2309 1 5 5 77.75 5.06 1.2283 0 11 1 78.56 2.48 1.2177 4 8 2 78.86 1.34 1.2138 2 10 1 79.77 2.41 1.2022 3 4 5 81.24 2.00 1.1842 0 0 6 81.77 1.56 1.1778 4 6 4 82.16 2.20 1.1732 11 1 1 84.52 1.50 1.1464 3 0 6 84.52 1.11 1.1464 0 3 6 85.01 4.19 1.1410 10 1 3 87.19 3.05 1.1180 9 3 3 87.22 2.48 1.1177 6 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.