Gadolinite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120138 Camara F, Oberti R, Ottolini L, Ventura G D, Bellatreccia F American Mineralogist 93 (2008) 996-1004 The crystal chemistry of Li in gadolinite Locality: Vico lake, Latium, Italy _database_code_amcsd 0004599 CELL PARAMETERS: 4.7690 7.6330 9.9420 90.000 90.200 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.99580 0.10680 0.33090 0.400 0.711 Y 0.99580 0.10680 0.33090 0.190 0.711 La 0.99580 0.10680 0.33090 0.030 0.711 Ce 0.99580 0.10680 0.33090 0.120 0.711 Pr 0.99580 0.10680 0.33090 0.020 0.711 Nd 0.99580 0.10680 0.33090 0.080 0.711 Sm 0.99580 0.10680 0.33090 0.020 0.711 Eu 0.99580 0.10680 0.33090 1.000 0.711 Gd 0.99580 0.10680 0.33090 0.020 0.711 Dy 0.99580 0.10680 0.33090 0.020 0.711 Er 0.99580 0.10680 0.33090 0.010 0.711 Yb 0.99580 0.10680 0.33090 0.010 0.711 Th 0.99580 0.10680 0.33090 0.070 0.711 U 0.99580 0.10680 0.33090 0.010 0.711 Fe 0.00000 0.00000 0.00000 0.500 0.553 Li 0.00000 0.00000 0.00000 0.230 0.553 Fe 0.00000 0.00000 0.00000 0.210 0.553 Mn 0.00000 0.00000 0.00000 0.030 0.553 Mg 0.00000 0.00000 0.00000 0.020 0.553 Si 0.54620 0.41060 0.33840 0.500 0.474 Be 0.54620 0.41060 0.33840 0.270 0.474 B 0.54620 0.41060 0.33840 0.200 0.474 Li 0.54620 0.41060 0.33840 0.030 0.474 Si 0.47650 0.27040 0.08130 0.500 0.474 Be 0.47650 0.27040 0.08130 0.270 0.474 B 0.47650 0.27040 0.08130 0.200 0.474 Li 0.47650 0.27040 0.08130 0.030 0.474 O 0.24080 0.40520 0.03430 1.000 0.790 O 0.67230 0.29240 0.45420 1.000 0.869 O 0.68340 0.34010 0.20240 1.000 0.947 O 0.31730 0.09680 0.14320 1.000 0.869 O 0.22700 0.41050 0.33500 1.000 0.869 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 7 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 114.5309972 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.63 36.03 6.0544 0 1 1 17.84 30.24 4.9710 0 0 2 18.61 100.00 4.7690 1 0 0 21.33 48.04 4.1655 0 1 2 23.31 4.97 3.8165 0 2 0 23.73 18.90 3.7502 -1 1 1 23.78 21.75 3.7425 1 1 1 24.99 68.05 3.5630 0 2 1 25.84 9.60 3.4474 -1 0 2 25.94 19.07 3.4354 1 0 2 28.41 36.14 3.1418 -1 1 2 28.49 30.46 3.1327 1 1 2 29.38 42.09 3.0398 0 1 3 29.51 1.46 3.0272 0 2 2 29.99 11.98 2.9798 1 2 0 31.32 66.46 2.8560 -1 2 1 31.36 64.21 2.8526 1 2 1 34.95 44.89 2.5671 -1 1 3 35.06 48.81 2.5597 1 1 3 36.14 5.51 2.4855 0 0 4 36.45 3.68 2.4649 0 3 1 37.73 20.85 2.3845 2 0 0 38.08 15.45 2.3633 0 1 4 39.80 27.45 2.2649 0 3 2 40.64 6.97 2.2202 -2 1 1 40.67 1.22 2.2182 -1 2 3 40.77 2.40 2.2134 1 2 3 41.01 3.83 2.2010 1 0 4 41.21 1.67 2.1905 -1 3 1 41.24 3.91 2.1889 1 3 1 41.97 4.83 2.1529 -2 0 2 42.09 2.70 2.1470 2 0 2 42.64 10.89 2.1204 -1 1 4 42.76 7.20 2.1148 1 1 4 43.69 8.29 2.0720 -2 1 2 43.80 7.47 2.0668 2 1 2 44.24 17.02 2.0472 -1 3 2 44.30 11.57 2.0446 1 3 2 44.82 1.58 2.0222 2 2 0 44.91 4.40 2.0181 0 3 3 45.76 18.04 1.9828 -2 2 1 45.82 21.17 1.9805 2 2 1 47.24 3.61 1.9242 0 1 5 47.66 10.41 1.9082 0 4 0 48.44 16.88 1.8791 -2 1 3 48.58 3.41 1.8740 0 4 1 48.60 17.69 1.8732 2 1 3 48.97 2.38 1.8600 -1 3 3 49.05 2.66 1.8572 1 3 3 51.13 3.15 1.7865 -1 1 5 51.26 2.42 1.7823 1 1 5 51.28 7.24 1.7815 0 4 2 51.39 14.76 1.7779 0 3 4 51.59 12.65 1.7717 1 4 0 51.85 12.48 1.7634 0 2 5 52.45 1.92 1.7446 -1 4 1 52.47 2.85 1.7438 1 4 1 53.13 2.25 1.7237 -2 0 4 53.33 1.10 1.7177 2 0 4 53.44 2.26 1.7145 -2 3 1 54.58 5.30 1.6814 -2 1 4 54.78 7.58 1.6758 2 1 4 55.00 2.87 1.6695 -1 4 2 55.05 3.32 1.6682 1 4 2 55.08 9.66 1.6673 -1 3 4 55.18 9.67 1.6646 1 3 4 55.45 9.63 1.6570 0 0 6 55.50 10.24 1.6556 -1 2 5 55.62 8.37 1.6523 1 2 5 55.95 10.93 1.6435 -2 3 2 56.05 11.12 1.6409 2 3 2 58.02 7.05 1.5897 3 0 0 58.94 6.65 1.5669 -1 0 6 58.95 1.28 1.5667 0 3 5 59.08 6.22 1.5635 1 0 6 59.99 1.28 1.5421 -2 3 3 60.13 1.22 1.5388 2 3 3 60.22 1.02 1.5367 3 1 1 60.96 1.88 1.5199 0 2 6 61.24 2.43 1.5136 0 4 4 61.28 2.03 1.5126 3 0 2 61.45 2.57 1.5089 0 5 1 62.09 1.72 1.4950 2 1 5 62.32 4.86 1.4899 2 4 0 62.44 1.07 1.4872 1 3 5 62.47 3.03 1.4866 -3 1 2 62.61 2.30 1.4837 3 1 2 63.07 1.30 1.4739 -2 4 1 63.12 1.02 1.4730 2 4 1 64.12 6.71 1.4524 -3 2 1 64.18 7.30 1.4510 3 2 1 64.56 1.70 1.4436 -1 4 4 64.65 1.79 1.4418 1 4 4 64.80 3.50 1.4388 -1 5 1 64.82 2.60 1.4384 1 5 1 65.35 2.40 1.4280 -2 4 2 65.40 4.18 1.4270 -2 3 4 65.44 2.84 1.4263 2 4 2 65.57 4.34 1.4236 2 3 4 65.77 4.31 1.4199 -2 2 5 65.99 3.86 1.4157 2 2 5 66.26 6.70 1.4105 -3 1 3 66.46 5.86 1.4068 3 1 3 67.56 3.40 1.3866 0 5 3 68.89 3.48 1.3629 -2 0 6 69.15 2.92 1.3585 2 0 6 70.73 6.06 1.3319 -1 5 3 70.78 3.37 1.3311 0 2 7 70.79 6.67 1.3309 1 5 3 71.35 1.38 1.3219 1 4 5 71.66 1.04 1.3170 3 1 4 72.60 2.27 1.3021 -3 3 2 72.73 1.92 1.3002 3 3 2 73.85 4.49 1.2832 -1 2 7 74.00 5.21 1.2810 1 2 7 74.13 1.03 1.2791 -2 4 4 74.29 1.13 1.2767 2 4 4 74.38 1.61 1.2754 -2 5 1 74.60 1.60 1.2722 0 6 0 75.31 2.49 1.2619 0 6 1 76.07 5.10 1.2511 0 4 6 76.68 1.08 1.2427 0 0 8 77.68 1.03 1.2292 1 6 0 77.88 1.82 1.2266 0 1 8 78.28 3.59 1.2214 3 4 0 78.38 1.67 1.2200 -1 6 1 78.40 2.31 1.2198 1 6 1 79.01 1.09 1.2119 3 4 1 79.08 2.12 1.2110 -1 4 6 79.09 1.77 1.2109 0 5 5 79.20 2.56 1.2094 1 4 6 79.99 4.12 1.1994 -2 5 3 80.12 4.28 1.1979 2 5 3 80.57 3.05 1.1922 4 0 0 81.04 2.21 1.1865 -3 3 4 81.14 1.55 1.1854 3 4 2 81.29 3.28 1.1836 3 3 4 81.37 3.57 1.1825 -3 2 5 81.68 3.14 1.1789 3 2 5 82.07 1.81 1.1742 -1 5 5 82.17 1.12 1.1730 1 5 5 82.96 3.33 1.1639 -2 2 7 83.24 3.78 1.1606 2 2 7 84.27 2.10 1.1491 -3 0 6 84.63 2.28 1.1451 3 0 6 85.94 1.66 1.1310 -4 2 1 86.02 2.82 1.1302 4 2 1 86.76 1.28 1.1224 2 6 0 87.32 1.61 1.1167 0 3 8 87.43 1.79 1.1155 -2 6 1 87.47 1.47 1.1151 2 6 1 87.87 2.04 1.1111 -4 1 3 88.07 3.02 1.1091 -2 4 6 88.11 1.84 1.1087 4 1 3 88.31 2.19 1.1067 2 4 6 89.26 1.38 1.0973 -3 4 4 89.54 1.11 1.0947 -3 5 1 89.60 1.26 1.0941 3 5 1 89.68 1.73 1.0933 0 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.