Britholite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130281 Noe D C, Hughes J M, Mariano A N, Drexler J W, Kato A Zeitschrift fur Kristallographie 206 (1993) 233-246 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: annealed sample Locality: the Kipawa syenite gneiss complex _database_code_amcsd 0011043 CELL PARAMETERS: 9.4020 9.4024 6.9005 90.000 90.000 119.992 SPACE GROUP: P2_1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33306 0.66670 -0.00540 0.580 1.170 Ce 0.33306 0.66670 -0.00540 0.420 1.170 Ca 0.33361 0.66653 0.49340 0.630 0.890 Ce 0.33361 0.66653 0.49340 0.370 0.890 Ca 0.99015 0.24053 0.24370 0.400 1.011 Ce 0.99015 0.24053 0.24370 0.600 1.011 Ca 0.24055 0.25039 0.74350 0.410 1.022 Ce 0.24055 0.25039 0.74350 0.590 1.022 Ca 0.25040 0.00989 0.24450 0.410 0.999 Ce 0.25040 0.00989 0.24450 0.590 0.999 Si 0.02840 0.62960 0.25000 1.000 0.700 Si 0.37020 0.39850 0.24300 1.000 0.720 Si 0.60120 0.97150 0.24070 1.000 0.720 O 0.83540 0.51150 0.23600 1.000 1.330 O 0.48780 0.32300 0.23800 1.000 1.400 O 0.67590 0.16420 0.25300 1.000 1.380 O 0.40560 0.87390 0.22700 1.000 1.200 O 0.46810 0.59450 0.22600 1.000 0.970 O 0.12660 0.53280 0.26700 1.000 0.900 O 0.63920 0.90100 0.05380 1.000 0.850 O 0.68280 0.92370 0.42000 1.000 1.500 O 0.26130 0.36020 0.05460 1.000 0.860 O 0.24070 0.31710 0.42100 1.000 1.700 O 0.07620 0.75810 0.07060 1.000 1.320 O 0.09990 0.73800 0.43950 1.000 1.110 F -0.00040 0.99950 0.21170 0.800 42.180 OH -0.00040 0.99950 0.21170 0.100 62.180 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 50.93351914 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 21.83 8.96 4.0717 0 2 0 21.83 8.74 4.0715 2 0 0 21.83 8.90 4.0711 -2 2 0 22.89 5.64 3.8855 1 1 1 22.89 5.54 3.8852 -1 2 1 22.89 5.75 3.8851 2 -1 1 25.82 19.01 3.4502 0 0 2 28.09 7.60 3.1769 0 1 2 28.09 7.63 3.1768 1 0 2 28.09 7.62 3.1768 1 -1 2 29.01 7.70 3.0780 1 2 0 29.01 3.20 3.0779 2 1 0 29.01 3.24 3.0778 -1 3 0 29.01 7.58 3.0776 -3 1 0 29.01 7.59 3.0776 -2 3 0 29.01 3.24 3.0775 -3 2 0 31.83 21.03 2.8110 1 2 1 31.84 12.27 2.8110 2 1 1 31.84 12.27 2.8108 -1 3 1 31.84 21.16 2.8107 3 -1 1 31.84 21.20 2.8107 -2 3 1 31.84 12.08 2.8106 3 -2 1 32.18 18.66 2.7816 1 1 2 32.18 18.81 2.7815 -1 2 2 32.18 18.63 2.7815 2 -1 2 33.00 11.68 2.7145 0 3 0 33.00 11.68 2.7143 3 0 0 33.00 11.61 2.7141 -3 3 0 34.06 1.03 2.6322 2 0 2 39.92 2.19 2.2586 3 1 0 39.92 2.22 2.2585 -1 4 0 39.92 2.17 2.2582 -4 3 0 43.82 3.50 2.0662 1 1 3 43.82 3.42 2.0661 -1 2 3 43.82 3.45 2.0661 2 -1 3 44.50 1.49 2.0358 0 4 0 44.51 1.48 2.0358 4 0 0 44.51 1.49 2.0356 -4 4 0 46.76 9.60 1.9427 2 2 2 46.76 9.40 1.9426 -2 4 2 46.76 9.61 1.9426 4 -2 2 48.15 1.42 1.8897 1 3 2 48.15 3.18 1.8897 3 1 2 48.15 3.21 1.8896 -1 4 2 48.16 1.44 1.8896 4 -1 2 48.16 1.52 1.8895 -3 4 2 48.16 3.19 1.8895 4 -3 2 48.74 1.26 1.8682 3 2 0 48.75 1.25 1.8681 -2 5 0 48.75 1.24 1.8680 -5 3 0 49.47 6.94 1.8425 1 2 3 49.47 3.63 1.8425 2 1 3 49.47 3.65 1.8425 -1 3 3 49.47 7.01 1.8424 3 -1 3 49.47 7.05 1.8424 -2 3 3 49.47 3.60 1.8424 3 -2 3 50.62 3.86 1.8033 2 3 1 50.62 2.66 1.8033 3 2 1 50.62 2.67 1.8032 -2 5 1 50.62 3.76 1.8031 -3 5 1 50.62 3.75 1.8031 5 -2 1 50.63 2.66 1.8031 5 -3 1 51.42 1.81 1.7771 1 4 0 51.42 3.06 1.7770 4 1 0 51.42 3.04 1.7770 -1 5 0 51.43 1.81 1.7769 -5 1 0 51.43 1.82 1.7768 -4 5 0 51.43 3.05 1.7768 -5 4 0 52.17 7.23 1.7534 0 4 2 52.17 7.26 1.7533 4 0 2 52.17 7.26 1.7532 4 -4 2 53.09 11.73 1.7251 0 0 4 60.12 1.18 1.5390 4 2 0 60.13 1.18 1.5389 -2 6 0 60.13 1.17 1.5387 -6 4 0 60.59 1.98 1.5283 3 3 1 60.59 1.99 1.5282 -3 6 1 60.60 2.00 1.5281 6 -3 1 61.63 1.20 1.5049 1 2 4 61.63 1.15 1.5049 2 1 4 61.63 1.14 1.5049 -1 3 4 61.63 1.18 1.5048 3 -1 4 61.63 1.16 1.5048 -2 3 4 61.63 1.15 1.5048 3 -2 4 63.12 2.47 1.4728 0 5 2 63.13 2.47 1.4728 5 0 2 63.13 2.46 1.4727 5 -5 2 63.94 2.32 1.4560 0 3 4 63.94 2.31 1.4560 3 0 4 63.94 2.30 1.4559 3 -3 4 64.23 1.98 1.4502 2 3 3 64.23 1.96 1.4501 -3 5 3 64.23 1.96 1.4501 5 -2 3 65.20 1.64 1.4308 1 5 1 65.21 1.62 1.4307 6 -1 1 65.21 1.62 1.4306 -5 6 1 65.40 1.56 1.4269 3 3 2 65.41 1.60 1.4268 -3 6 2 65.41 1.58 1.4267 6 -3 2 75.49 1.19 1.2593 1 2 5 75.50 1.20 1.2593 3 -1 5 75.50 1.22 1.2593 -2 3 5 77.05 1.64 1.2378 4 1 4 77.05 1.64 1.2378 -1 5 4 77.05 1.66 1.2377 5 -4 4 77.31 1.01 1.2342 1 5 3 77.31 1.01 1.2342 6 -1 3 77.32 1.00 1.2341 -5 6 3 78.40 1.91 1.2198 5 2 2 78.40 1.91 1.2197 -2 7 2 78.41 1.90 1.2196 7 -5 2 81.97 1.12 1.1754 4 4 0 87.27 1.11 1.1171 1 1 6 87.27 1.13 1.1171 -1 2 6 87.27 1.11 1.1171 2 -1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.