Zircon Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100144 Finch R J, Hanchar J M, Hoskin P W O, Burns P C American Mineralogist 86 (2001) 681-689 Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Gd+P (30) _database_code_amcsd 0002647 CELL PARAMETERS: 6.6210 6.6210 6.0100 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/amd ATOM X Y Z OCCUPANCY ISO(B) Si 0.00000 0.75000 0.62500 1.000 0.500 Zr 0.00000 0.75000 0.12500 1.000 1.000 O 0.00000 0.06600 0.19590 1.000 0.500 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: 71.32673310 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.95 42.15 4.4501 1 0 1 26.93 100.00 3.3105 2 0 0 33.74 6.88 2.6561 2 1 1 35.50 56.67 2.5289 1 1 2 38.46 12.07 2.3409 2 2 0 40.54 6.35 2.2250 2 0 2 43.69 19.62 2.0717 3 0 1 47.41 12.96 1.9175 1 0 3 52.08 13.15 1.7562 3 2 1 53.33 50.48 1.7179 3 1 2 55.37 2.95 1.6592 2 1 3 55.52 13.94 1.6552 4 0 0 59.59 2.15 1.5514 4 1 1 61.74 2.68 1.5025 0 0 4 62.63 2.45 1.4834 3 0 3 62.76 8.49 1.4805 4 2 0 67.65 15.28 1.3850 3 3 2 68.59 8.91 1.3682 2 0 4 73.19 4.31 1.2932 4 3 1 75.13 7.64 1.2644 2 2 4 75.94 1.94 1.2530 4 1 3 80.60 7.70 1.1920 5 1 2 82.40 2.40 1.1704 4 4 0 87.61 1.97 1.1137 2 1 5 87.73 4.05 1.1125 4 0 4 88.51 1.59 1.1047 5 0 3 88.63 3.90 1.1035 6 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.