Gadolinite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060351 Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M The Canadian Mineralogist 31 (1993) 127-136 A crystal-chemical investigation of alpine gadolinite Locality: Beura, Ossola, Italy Sample: 3 Note: structure from ICSD CELL PARAMETERS: 4.8500 7.7100 10.1600 90.000 90.430 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Y 0.00019 0.10751 0.33146 0.690 0.545 Dy 0.00019 0.10751 0.33146 0.200 0.545 Ca 0.00019 0.10751 0.33146 0.110 0.545 Be 0.45090 0.41440 0.33640 0.680 0.473 B 0.45090 0.41440 0.33640 0.320 0.473 Fe 0.00000 0.00000 0.00000 0.500 0.624 Si 0.52000 0.27620 0.07938 1.000 0.466 O 0.76040 0.41190 0.03190 1.000 0.768 O 0.32500 0.28860 0.45190 1.000 0.798 O 0.30700 0.34580 0.19720 1.000 0.781 O 0.68640 0.10540 0.14480 1.000 0.803 O 0.78760 0.41180 0.33260 1.000 0.816 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: 11.93224647 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.42 32.24 6.1417 0 1 1 17.46 9.23 5.0799 0 0 2 18.29 72.80 4.8499 1 0 0 20.94 20.26 4.2419 0 1 2 23.07 1.19 3.8550 0 2 0 23.32 22.77 3.8147 -1 1 1 23.42 8.60 3.7979 1 1 1 24.70 55.27 3.6043 0 2 1 25.29 37.13 3.5211 -1 0 2 25.49 13.78 3.4948 1 0 2 27.86 86.74 3.2029 -1 1 2 28.03 95.49 3.1831 1 1 2 28.79 44.34 3.1006 0 1 3 29.08 4.60 3.0709 0 2 2 29.60 63.28 3.0178 1 2 0 30.87 91.98 2.8966 -1 2 1 30.95 100.00 2.8892 1 2 1 34.22 86.50 2.6206 -1 1 3 34.44 67.49 2.6043 1 1 3 34.50 7.07 2.5998 -1 2 2 34.64 2.59 2.5892 1 2 2 35.28 1.22 2.5443 0 2 3 35.34 8.90 2.5399 0 0 4 36.05 11.48 2.4915 0 3 1 37.07 23.88 2.4249 2 0 0 37.27 28.36 2.4124 0 1 4 38.93 1.14 2.3132 2 1 0 39.29 44.21 2.2932 0 3 2 39.69 12.06 2.2709 1 3 0 39.92 13.57 2.2583 -1 2 3 39.94 10.74 2.2570 -1 0 4 40.04 10.93 2.2520 2 1 1 40.11 16.65 2.2478 1 2 3 40.20 2.65 2.2431 1 0 4 40.68 11.71 2.2178 -1 3 1 41.38 7.12 2.1820 2 0 2 41.70 3.72 2.1661 -1 1 4 41.95 15.20 2.1538 1 1 4 42.84 6.28 2.1109 -2 1 2 43.08 5.90 2.0996 2 1 2 43.60 9.94 2.0759 -1 3 2 43.72 23.99 2.0704 1 3 2 44.24 6.02 2.0472 0 3 3 45.00 34.07 2.0144 -2 2 1 45.12 32.28 2.0095 2 2 1 46.20 3.81 1.9649 0 1 5 47.15 13.55 1.9275 0 4 0 47.44 41.14 1.9165 -2 1 3 47.77 36.73 1.9038 2 1 3 48.04 6.84 1.8937 0 4 1 48.17 2.13 1.8892 -1 3 3 48.33 1.91 1.8830 1 3 3 49.95 1.10 1.8257 -1 1 5 50.23 4.25 1.8165 1 1 5 50.52 19.42 1.8065 0 3 4 50.65 21.27 1.8021 0 4 2 50.79 26.75 1.7975 0 2 5 50.98 22.25 1.7912 1 4 0 51.80 2.24 1.7648 -1 4 1 51.94 1.46 1.7605 -2 0 4 52.26 1.05 1.7504 2 2 3 52.36 3.97 1.7474 2 0 4 52.62 3.33 1.7394 -2 3 1 52.72 9.48 1.7362 2 3 1 53.38 23.29 1.7164 -2 1 4 53.79 13.28 1.7042 2 1 4 54.08 20.49 1.6959 -1 3 4 54.17 15.98 1.6933 0 0 6 54.25 2.94 1.6907 -1 4 2 54.28 22.10 1.6900 1 3 4 54.31 8.04 1.6891 -1 2 5 54.36 4.35 1.6878 1 4 2 54.56 13.58 1.6818 1 2 5 55.02 27.02 1.6690 -2 3 2 55.22 21.50 1.6634 2 3 2 56.96 10.99 1.6166 3 0 0 57.52 15.22 1.6024 -1 0 6 57.81 16.60 1.5949 1 0 6 57.85 2.86 1.5939 0 3 5 57.94 2.83 1.5915 2 2 4 58.20 1.69 1.5852 -1 4 3 59.64 9.05 1.5503 0 2 6 59.91 3.24 1.5438 -3 0 2 60.28 4.85 1.5354 0 4 4 60.42 1.16 1.5321 -2 1 5 60.75 3.59 1.5245 0 5 1 61.09 2.94 1.5169 -1 3 5 61.23 5.62 1.5138 -3 1 2 61.33 2.69 1.5116 1 3 5 61.45 1.44 1.5089 2 4 0 61.51 6.15 1.5075 3 1 2 62.15 1.22 1.4935 -2 4 1 62.25 3.43 1.4915 2 4 1 62.28 2.37 1.4908 3 2 0 62.95 11.54 1.4765 -3 2 1 63.09 12.48 1.4736 3 2 1 63.47 5.40 1.4657 -1 4 4 63.65 3.54 1.4619 1 4 4 64.00 6.88 1.4548 -1 5 1 64.04 8.91 1.4539 1 5 1 64.12 2.24 1.4524 -2 3 4 64.30 6.91 1.4487 -2 2 5 64.32 5.39 1.4483 -2 4 2 64.48 2.44 1.4450 2 3 4 64.51 5.35 1.4446 2 4 2 64.76 5.24 1.4395 2 2 5 64.86 11.38 1.4375 -3 1 3 65.27 13.21 1.4295 3 1 3 66.64 1.63 1.4034 0 5 3 67.19 2.10 1.3932 -2 0 6 67.73 2.73 1.3834 2 0 6 68.15 1.04 1.3759 2 4 3 68.58 1.54 1.3684 3 3 0 68.60 1.69 1.3680 -3 2 3 68.74 1.64 1.3657 1 1 7 69.16 2.95 1.3583 0 2 7 69.70 8.97 1.3492 -1 5 3 69.83 6.82 1.3470 1 5 3 69.91 3.53 1.3455 -1 4 5 70.13 1.52 1.3418 1 4 5 71.26 1.51 1.3234 -3 3 2 72.08 8.30 1.3104 -1 2 7 72.08 1.84 1.3103 -2 2 6 72.38 5.60 1.3056 1 2 7 72.60 3.43 1.3021 2 2 6 72.75 2.60 1.2999 -2 4 4 73.40 1.77 1.2900 2 5 1 73.73 3.27 1.2850 0 6 0 74.42 5.23 1.2748 0 6 1 74.53 1.14 1.2732 -1 5 4 74.60 11.62 1.2721 0 4 6 74.64 1.50 1.2716 -3 3 3 74.70 1.55 1.2707 1 5 4 74.75 2.69 1.2700 0 0 8 75.03 1.09 1.2660 3 3 3 75.32 1.67 1.2617 -2 5 2 75.50 1.11 1.2593 2 5 2 75.94 4.60 1.2531 0 1 8 75.95 1.36 1.2529 -3 1 5 76.59 1.31 1.2440 3 1 5 76.98 6.99 1.2386 3 4 0 77.38 3.57 1.2332 -1 6 1 77.46 2.63 1.2322 -1 4 6 77.59 2.25 1.2304 -3 4 1 77.72 1.23 1.2287 3 4 1 77.75 4.56 1.2283 0 5 5 78.01 2.35 1.2249 -1 3 7 78.67 8.32 1.2163 -2 5 3 78.92 7.35 1.2130 2 5 3 78.96 7.76 1.2125 4 0 0 79.32 6.02 1.2079 -3 3 4 79.38 2.72 1.2071 -1 6 2 79.47 1.13 1.2061 1 6 2 79.47 6.18 1.2060 -3 2 5 79.55 2.04 1.2050 -3 4 2 79.80 2.47 1.2018 3 4 2 79.83 4.47 1.2015 3 3 4 80.10 5.61 1.1981 3 2 5 80.71 1.62 1.1905 -4 1 1 80.80 2.94 1.1895 1 5 5 80.87 7.16 1.1886 -2 2 7 81.46 7.81 1.1815 2 2 7 82.12 5.54 1.1737 -3 0 6 82.63 1.02 1.1677 -4 1 2 82.87 4.99 1.1649 3 0 6 84.18 3.66 1.1501 -4 2 1 84.35 2.02 1.1483 4 2 1 84.50 1.75 1.1466 0 6 4 85.24 1.12 1.1385 0 3 8 85.25 1.58 1.1384 -3 3 5 85.53 1.32 1.1354 2 6 0 85.86 2.65 1.1318 -4 1 3 85.88 1.79 1.1317 3 3 5 86.11 1.07 1.1292 -1 4 7 86.12 2.50 1.1291 -2 4 6 86.15 1.93 1.1288 -2 6 1 86.23 4.71 1.1280 2 6 1 86.36 3.42 1.1266 4 1 3 86.62 5.27 1.1239 2 4 6 86.84 1.15 1.1216 2 0 8 87.29 2.68 1.1169 0 1 9 87.33 3.42 1.1166 -2 1 8 87.40 1.18 1.1158 -3 4 4 87.90 3.85 1.1108 3 4 4 87.97 4.31 1.1101 -1 3 8 87.99 1.82 1.1099 2 1 8 88.00 4.63 1.1098 -3 5 1 88.13 2.38 1.1085 3 5 1 88.25 2.23 1.1073 2 6 2 88.30 4.05 1.1068 1 3 8 89.22 4.47 1.0978 -2 5 5 89.63 1.79 1.0938 2 5 5 89.92 2.04 1.0910 -4 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.