Defernite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060619 Peacor D R, Sarp H, Dunn P J, Innes J, Nelen J A American Mineralogist 73 (1988) 888-893 Defernite from the Kombat mine, Namibia: A second occurence, structure refinement, and crystal chemistry CELL PARAMETERS: 17.6000 22.4700 3.6060 90.000 90.000 90.000 SPACE GROUP: Pnam ATOM X Y Z OCCUPANCY ISO(B) Ca 0.71120 0.08260 0.25000 1.000 1.374 Ca 0.53220 0.42760 0.25000 1.000 1.224 Ca 0.37110 0.17880 0.25000 1.000 1.366 Ca 0.62140 0.65860 0.25000 1.000 1.224 Ca 0.77020 0.90780 0.25000 1.000 1.405 Ca 0.97480 0.57560 0.25000 1.000 1.266 C 0.37100 0.47120 0.25000 1.000 0.987 C 0.86850 0.46890 0.25000 0.740 1.345 Si 0.86850 0.46890 0.25000 0.260 1.345 OH 0.15320 0.11130 0.25000 1.000 1.942 OH 0.71620 0.81540 0.25000 1.000 1.816 OH 0.08890 0.38400 0.25000 1.000 1.587 OH 0.25090 0.85730 0.25000 1.000 1.582 OH 0.04700 0.66200 0.25000 1.000 1.440 OH 0.40210 0.27900 0.25000 1.000 1.519 OH 0.49570 0.63100 0.25000 1.000 1.284 O 0.38110 0.41410 0.25000 1.000 1.703 O 0.43250 0.50390 0.25000 1.000 1.398 O 0.30590 0.49310 0.25000 1.000 2.806 O 0.94770 0.46330 0.25000 1.000 2.208 O 0.82200 0.42270 0.25000 0.880 2.382 O 0.84350 0.52670 0.25000 0.880 1.448 OH 0.39180 0.74840 0.25000 0.390 10.341 OH 0.36220 0.74990 0.05710 0.120 2.669 OH 0.12940 0.25140 0.25000 0.080 1.121 OH 0.08100 0.24150 0.09350 0.160 2.613 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 20 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 13.78509120 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.87 100.00 11.2350 0 2 0 10.80 32.66 8.1940 2 1 0 15.54 8.12 5.7037 2 3 0 15.78 18.34 5.6175 0 4 0 17.05 1.05 5.2004 3 2 0 18.74 1.37 4.7350 2 4 0 21.69 9.46 4.0970 4 2 0 22.21 7.65 4.0023 2 5 0 23.76 1.87 3.7450 0 6 0 25.52 1.41 3.4898 1 1 1 25.72 5.60 3.4639 4 4 0 26.72 4.25 3.3367 2 0 1 27.45 1.37 3.2491 0 3 1 27.89 5.63 3.1986 2 2 1 27.92 3.41 3.1951 1 3 1 29.34 15.52 3.0438 3 1 1 29.62 18.63 3.0156 2 7 0 29.88 11.77 2.9905 1 4 1 30.16 17.66 2.9633 3 2 1 30.74 9.09 2.9087 6 1 0 31.18 17.91 2.8688 2 4 1 31.37 11.78 2.8519 4 6 0 31.52 1.42 2.8382 6 2 0 31.82 9.20 2.8125 0 5 1 31.86 1.71 2.8087 0 8 0 32.23 3.68 2.7773 1 5 1 32.35 9.96 2.7678 4 1 1 32.79 12.50 2.7313 6 3 0 33.24 2.09 2.6953 3 4 1 34.31 2.79 2.6137 4 3 1 34.92 1.92 2.5697 1 6 1 35.39 1.47 2.5361 3 5 1 35.43 1.99 2.5334 3 8 0 35.87 1.70 2.5032 5 1 1 36.34 1.45 2.4719 1 9 0 36.63 1.70 2.4536 7 2 0 37.68 4.95 2.3875 5 3 1 37.74 1.53 2.3836 7 3 0 37.87 4.01 2.3757 1 7 1 37.93 1.57 2.3719 5 7 0 39.20 2.68 2.2984 5 4 1 40.65 4.21 2.2194 3 7 1 41.03 1.64 2.2000 8 0 0 41.05 5.00 2.1985 1 8 1 41.08 1.20 2.1973 5 5 1 41.14 1.52 2.1942 7 5 0 41.48 1.65 2.1771 2 10 0 44.09 3.03 2.0538 7 1 1 44.21 1.61 2.0485 8 4 0 44.43 4.17 2.0389 1 9 1 45.62 2.51 1.9884 7 3 1 45.79 1.72 1.9816 5 7 1 46.89 2.70 1.9375 3 9 1 46.93 12.52 1.9361 7 4 1 47.84 3.28 1.9012 6 9 0 47.98 1.04 1.8960 1 10 1 48.55 3.81 1.8752 5 8 1 48.57 5.42 1.8745 7 5 1 48.62 3.13 1.8725 0 12 0 48.92 1.13 1.8620 1 12 0 50.07 1.63 1.8217 8 3 1 50.31 11.02 1.8136 3 10 1 50.63 14.38 1.8030 0 0 2 51.32 1.37 1.7802 0 2 2 51.69 1.91 1.7684 1 11 1 51.70 2.51 1.7681 6 8 1 51.93 1.15 1.7609 2 1 2 52.76 7.58 1.7352 7 7 1 53.37 1.42 1.7167 0 4 2 53.46 5.49 1.7140 9 1 1 53.48 1.78 1.7133 10 3 0 53.90 2.68 1.7010 3 11 1 53.96 3.13 1.6993 9 2 1 54.76 1.51 1.6763 6 11 0 55.26 3.41 1.6624 7 8 1 56.12 1.78 1.6388 10 5 0 58.14 1.12 1.5866 5 11 1 59.76 2.45 1.5475 2 7 2 59.94 1.50 1.5433 10 7 0 60.41 2.17 1.5325 6 1 2 60.78 3.23 1.5240 4 6 2 61.50 1.28 1.5078 4 14 0 61.64 2.54 1.5047 6 3 2 72.21 1.18 1.3083 6 9 2 72.82 1.15 1.2988 0 12 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.