Cacoxenite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070141 Moore P B, Shen J Nature 306 (1983) 356-358 An X-ray structural study of cacoxenite, a mineral phosphate Locality: Avant's Claim, near Shady, Polk County, Arkansas, USA CELL PARAMETERS: 27.5300 27.5300 10.5630 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Al 0.66667 0.33333 0.25000 1.000 0.300 Al 0.38310 0.01070 0.75000 1.000 0.100 Fe 0.47590 0.11400 0.25000 1.000 0.800 Fe 0.65420 0.09400 0.75000 1.000 1.200 Fe 0.57170 0.23300 0.75000 1.000 0.800 Fe 0.54000 0.05250 0.10250 1.000 0.700 Fe 0.67580 0.22290 0.60660 1.000 0.800 P 0.66667 0.33333 0.56200 1.000 0.500 O 0.66667 0.33333 0.42200 1.000 0.500 O 0.60600 0.29790 0.61400 1.000 0.100 P 0.65550 0.11290 0.25000 1.000 0.200 O 0.67310 0.06720 0.25000 1.000 0.900 O 0.70630 0.17090 0.25000 1.000 0.800 O 0.62030 0.10220 0.12800 1.000 0.900 P 0.40610 0.01070 0.04900 1.000 0.100 O 0.38390 0.01710 -0.07700 1.000 0.100 O 0.35910 -0.03980 0.11900 1.000 1.100 O 0.42560 0.06500 0.12200 1.000 0.700 O 0.45720 -0.00010 0.03100 1.000 0.100 P 0.55220 0.16570 0.00000 1.000 0.200 O 0.52390 0.17060 0.12200 1.000 0.600 O 0.52840 0.18170 -0.11300 1.000 0.100 O 0.54030 0.10530 -0.02100 1.000 0.500 O 0.61550 0.20620 0.01500 1.000 0.200 OH 0.66800 0.14960 0.61500 1.000 1.000 O 0.51440 0.07400 0.25000 1.000 0.900 OH 0.51720 0.26460 0.75000 1.000 0.300 O 0.62940 0.21500 0.75000 1.000 0.100 OH 0.55200 0.00250 0.25000 1.000 0.900 Wa 0.42700 0.15600 0.25000 1.000 1.800 Wa 0.57000 0.07900 0.75000 1.000 0.800 Wa 0.32500 0.03400 0.75000 1.000 2.300 Wa 0.37600 0.26200 0.75000 1.000 2.100 Wa 0.44300 0.09400 0.75000 1.000 1.600 Wa 0.62000 0.25600 0.25000 0.500 6.800 Wa 0.65600 0.25900 0.25000 0.500 11.500 Wa 0.51000 0.26900 0.04700 1.000 1.200 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 21 +/- 21 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 293.3255557 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 3.71 100.00 23.8417 1 0 0 6.42 1.38 13.7650 1 1 0 7.42 7.18 11.9208 2 0 0 12.91 1.03 6.8556 1 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.