Xenotime-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120080 Ni Y, Hughes J M, Mariano A N American Mineralogist 80 (1995) 21-26 Crystal chemistry of the monazite and xenotime structures _database_code_amcsd 0001706 CELL PARAMETERS: 6.9100 6.9100 6.0400 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: 71.15275617 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.52 21.61 4.5476 1 0 1 25.79 100.00 3.4550 2 0 0 32.55 6.10 2.7511 2 1 1 34.93 55.67 2.5689 1 1 2 36.79 14.06 2.4431 2 2 0 39.64 6.76 2.2738 2 0 2 41.98 17.49 2.1522 3 0 1 47.01 10.08 1.9330 1 0 3 49.92 14.78 1.8267 3 2 1 51.63 46.53 1.7703 3 1 2 53.01 12.92 1.7275 4 0 0 54.39 4.80 1.6869 2 1 3 57.03 1.94 1.6149 4 1 1 59.86 8.50 1.5451 4 2 0 61.14 1.29 1.5159 3 0 3 61.40 1.58 1.5100 0 0 4 65.07 13.52 1.4335 3 3 2 67.72 7.83 1.3836 2 0 4 69.81 4.61 1.3472 4 3 1 73.53 2.14 1.2881 4 1 3 73.77 8.76 1.2845 2 2 4 77.15 9.80 1.2364 5 1 2 78.26 2.22 1.2215 4 4 0 84.04 4.18 1.1517 6 0 0 85.16 1.44 1.1394 5 0 3 85.39 3.85 1.1369 4 0 4 86.50 2.10 1.1251 2 1 5 88.67 8.62 1.1032 5 3 2 89.76 4.55 1.0926 6 2 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.