Xenotime-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060428 Ni Y, Hughes J M, Mariano A N American Mineralogist 80 (1995) 21-26 Crystal chemistry of the monazite and xenotime structures CELL PARAMETERS: 6.8915 6.8915 6.0282 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/amd ATOM X Y Z OCCUPANCY ISO(B) Y 0.00000 0.75000 0.12500 1.000 0.455 P 0.00000 0.25000 0.37500 1.000 0.620 O 0.00000 0.07530 0.21580 1.000 0.940 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 71.67856467 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.56 21.66 4.5373 1 0 1 25.86 100.00 3.4457 2 0 0 32.63 6.11 2.7441 2 1 1 35.00 55.73 2.5634 1 1 2 36.89 14.06 2.4365 2 2 0 39.73 6.75 2.2686 2 0 2 42.09 17.47 2.1466 3 0 1 47.11 10.08 1.9291 1 0 3 50.06 14.75 1.8220 3 2 1 51.77 46.47 1.7660 3 1 2 53.16 12.89 1.7229 4 0 0 54.52 4.80 1.6832 2 1 3 57.19 1.94 1.6107 4 1 1 60.04 8.48 1.5410 4 2 0 61.29 1.28 1.5124 3 0 3 61.53 1.58 1.5071 0 0 4 65.25 13.49 1.4299 3 3 2 67.88 7.83 1.3808 2 0 4 70.03 4.60 1.3436 4 3 1 73.73 2.14 1.2850 4 1 3 73.95 8.75 1.2817 2 2 4 77.38 9.79 1.2332 5 1 2 78.51 2.22 1.2183 4 4 0 84.32 4.17 1.1486 6 0 0 85.42 1.44 1.1366 5 0 3 85.63 3.85 1.1343 4 0 4 86.73 2.10 1.1228 2 1 5 88.96 8.63 1.1003 5 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.