Monazite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120081 Mooney R C L Journal of Chemical Physics 16 (1948) 1003-1003 Crystal structures of a series of rare earth phosphates Note: O3-y has been modified to a realistic value Locality: synthetic _database_code_amcsd 0019170 CELL PARAMETERS: 6.7510 6.9655 6.4630 90.000 103.850 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Ce 0.29200 0.15600 0.08300 1.000 1.500 P 0.29200 0.15600 0.58100 1.000 0.500 O 0.21100 0.99000 0.42300 1.000 1.000 O 0.37400 0.32300 0.46400 1.000 1.000 O 0.46700 0.08600 0.76500 1.000 1.000 O 0.11600 0.23500 0.68000 1.000 1.000 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: 52.11447549 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.06 5.26 5.1966 -1 0 1 18.59 12.45 4.7735 1 1 0 19.04 24.65 4.6622 0 1 1 21.33 56.98 4.1652 -1 1 1 21.83 23.66 4.0720 1 0 1 25.34 10.80 3.5153 1 1 1 25.58 15.00 3.4827 0 2 0 27.21 59.27 3.2774 2 0 0 28.45 17.57 3.1375 0 0 2 29.03 100.00 3.0756 1 2 0 29.33 3.05 3.0452 0 2 1 30.14 23.26 2.9655 2 1 0 30.42 4.62 2.9383 -2 1 1 31.27 22.27 2.8608 -1 1 2 31.27 62.74 2.8607 0 1 2 34.52 36.43 2.5983 -2 0 2 36.20 1.53 2.4816 2 1 1 36.92 5.57 2.4344 -2 1 2 36.93 8.53 2.4343 1 1 2 37.69 4.82 2.3868 2 2 0 38.62 19.65 2.3311 -1 2 2 38.62 1.83 2.3311 0 2 2 41.25 1.88 2.1886 1 3 0 41.47 23.08 2.1776 0 3 1 42.08 19.29 2.1471 -1 0 3 42.45 21.64 2.1293 -3 1 1 42.82 18.53 2.1119 2 2 1 43.41 2.20 2.0848 3 1 0 43.45 1.20 2.0825 1 2 2 44.14 1.75 2.0518 -1 1 3 44.94 3.23 2.0170 1 3 1 46.47 29.81 1.9542 2 1 2 47.21 8.79 1.9252 3 0 1 48.02 1.37 1.8946 2 3 0 48.22 14.47 1.8874 -2 3 1 48.76 5.49 1.8674 1 0 3 48.79 19.48 1.8664 -1 3 2 49.23 10.83 1.8508 3 2 0 49.90 1.74 1.8277 -1 2 3 50.93 8.74 1.7932 0 2 3 52.03 22.99 1.7577 -3 2 2 52.34 2.72 1.7480 2 3 1 52.55 4.13 1.7414 0 4 0 52.85 2.36 1.7322 -3 0 3 52.88 1.14 1.7313 -2 3 2 52.88 22.06 1.7313 1 3 2 52.94 3.23 1.7296 -2 2 3 54.52 8.00 1.6830 1 4 0 54.59 2.18 1.6810 -3 1 3 54.70 1.21 1.6780 0 4 1 56.08 1.05 1.6399 -4 1 1 56.13 1.59 1.6387 4 0 0 56.82 8.80 1.6204 -4 0 2 57.57 1.10 1.6011 1 4 1 57.80 8.00 1.5951 4 1 0 57.96 7.07 1.5912 3 3 0 58.48 3.50 1.5782 3 1 2 58.65 2.72 1.5740 -1 1 4 58.87 1.17 1.5688 0 0 4 60.17 3.53 1.5378 2 4 0 60.49 7.53 1.5305 -2 1 4 60.49 4.91 1.5304 0 1 4 60.84 3.09 1.5226 -1 4 2 60.84 1.50 1.5226 0 4 2 61.02 1.15 1.5185 -4 2 1 61.30 1.08 1.5122 -2 3 3 63.30 1.29 1.4691 -4 2 2 63.93 1.91 1.4563 2 4 1 64.11 2.11 1.4526 2 2 3 64.41 4.25 1.4465 -2 4 2 65.82 2.45 1.4188 -3 1 4 65.83 1.60 1.4188 1 1 4 68.05 2.44 1.3778 4 2 1 68.78 2.22 1.3650 -4 3 1 68.96 2.76 1.3618 3 4 0 69.67 1.24 1.3495 -5 0 1 69.91 2.22 1.3456 -1 5 1 70.37 4.07 1.3380 1 2 4 70.71 1.04 1.3323 3 1 3 70.93 6.82 1.3287 3 3 2 70.98 1.47 1.3279 4 0 2 71.08 8.79 1.3262 -1 3 4 71.26 3.93 1.3234 -3 4 2 71.59 1.11 1.3181 1 5 1 72.02 1.15 1.3113 -2 4 3 72.46 3.57 1.3044 4 1 2 72.80 1.02 1.2991 -4 0 4 72.80 3.49 1.2991 2 0 4 73.51 1.89 1.2883 5 1 0 73.93 2.27 1.2821 2 5 0 74.26 4.95 1.2771 -4 1 4 74.27 1.58 1.2771 2 1 4 74.53 3.70 1.2732 0 5 2 74.79 1.21 1.2694 -1 1 5 76.63 1.42 1.2434 -4 3 3 76.82 4.22 1.2408 -5 2 2 77.31 1.33 1.2342 -5 1 3 77.67 5.77 1.2294 -3 3 4 77.67 3.27 1.2294 1 3 4 77.79 1.15 1.2278 -2 5 2 77.94 1.09 1.2258 5 0 1 78.24 1.05 1.2219 -3 0 5 79.92 1.12 1.2004 -2 2 5 81.07 1.48 1.1862 -4 4 2 81.38 1.20 1.1824 -3 5 1 81.80 1.00 1.1775 2 4 3 82.88 1.19 1.1649 1 1 5 83.22 1.91 1.1609 0 6 0 84.22 4.14 1.1497 2 5 2 84.96 4.96 1.1416 5 3 0 85.42 1.09 1.1366 4 4 1 87.17 1.94 1.1182 -6 0 2 87.59 1.30 1.1139 1 4 4 88.58 1.08 1.1041 0 3 5 89.58 3.13 1.0943 2 6 0 89.77 1.85 1.0925 -5 2 4 89.77 3.03 1.0924 3 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.