Ancylite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060205 Dal Negro A, Rossi G, Tazzoli V American Mineralogist 60 (1975) 280-284 The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x*(2-x)H2O CELL PARAMETERS: 5.0204 8.5213 7.2195 90.000 90.000 90.000 SPACE GROUP: Pmcn ATOM X Y Z OCCUPANCY ISO(B) Ce 0.25000 0.33990 0.64760 0.420 0.792 La 0.25000 0.33990 0.64760 0.280 0.792 Sr 0.25000 0.33990 0.64760 0.200 0.792 Ca 0.25000 0.33990 0.64760 0.100 0.792 C 0.75000 0.19050 0.80990 1.000 0.775 O 0.75000 0.31810 0.72100 1.000 1.792 O 0.52970 0.12180 0.85200 1.000 1.537 OH 0.25000 0.41350 0.97490 1.000 2.407 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 32.04655962 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.09 53.82 5.5083 0 1 1 20.53 100.00 4.3255 1 1 0 20.85 32.28 4.2607 0 2 0 23.98 68.63 3.7105 1 1 1 24.26 48.07 3.6693 0 2 1 24.66 15.12 3.6098 0 0 2 26.82 40.71 3.3238 0 1 2 30.17 21.31 2.9624 1 2 1 30.50 85.51 2.9308 1 0 2 32.51 7.38 2.7542 0 2 2 33.91 37.59 2.6432 0 3 1 35.77 34.60 2.5102 2 0 0 36.34 4.74 2.4722 1 3 0 37.24 19.58 2.4147 1 2 2 38.49 54.39 2.3389 1 3 1 38.89 31.28 2.3159 0 1 3 39.45 1.39 2.2842 2 1 1 41.76 9.89 2.1628 2 2 0 42.43 16.25 2.1303 0 4 0 43.01 5.14 2.1029 1 1 3 43.17 1.60 2.0954 0 2 3 43.69 59.10 2.0718 2 2 1 43.93 2.32 2.0609 2 0 2 44.33 13.20 2.0432 0 4 1 45.27 49.03 2.0031 2 1 2 46.99 31.82 1.9337 1 2 3 48.08 11.96 1.8925 1 4 1 49.11 3.52 1.8552 2 2 2 49.65 30.26 1.8361 0 3 3 50.12 12.11 1.8202 2 3 1 50.57 7.28 1.8049 0 0 4 51.78 2.89 1.7657 0 1 4 53.11 6.05 1.7244 1 3 3 53.15 12.95 1.7232 1 4 2 53.86 7.57 1.7021 2 1 3 53.99 6.15 1.6985 1 0 4 55.05 1.81 1.6681 2 3 2 55.14 15.48 1.6657 1 1 4 55.27 1.64 1.6619 0 2 4 56.00 9.29 1.6421 3 1 0 56.67 3.35 1.6242 2 4 0 57.07 8.53 1.6138 1 5 0 57.27 3.78 1.6086 2 2 3 57.56 3.25 1.6012 3 1 1 58.22 9.74 1.5846 2 4 1 58.50 1.05 1.5777 1 2 4 60.03 7.15 1.5411 0 5 2 60.84 5.20 1.5226 3 2 1 60.94 6.18 1.5202 1 4 3 61.03 7.35 1.5182 3 0 2 62.69 16.32 1.4820 2 3 3 63.10 1.00 1.4733 1 5 2 63.48 2.60 1.4654 2 0 4 64.53 5.26 1.4442 2 1 4 64.64 1.07 1.4418 3 3 0 65.24 3.24 1.4302 3 2 2 65.75 3.94 1.4202 0 6 0 66.08 8.03 1.4139 3 3 1 67.60 1.83 1.3857 2 2 4 67.71 2.24 1.3839 2 5 1 68.09 3.08 1.3771 0 4 4 68.51 4.16 1.3696 1 1 5 68.63 2.55 1.3675 0 2 5 70.97 1.80 1.3280 1 4 4 71.37 1.24 1.3216 0 6 2 71.89 13.04 1.3134 2 5 2 72.25 10.38 1.3076 3 2 3 73.09 2.72 1.2947 3 4 1 74.20 10.07 1.2781 1 6 2 75.79 4.81 1.2551 4 0 0 76.39 11.74 1.2468 1 3 5 77.12 1.38 1.2368 3 3 3 77.15 2.45 1.2364 3 4 2 77.17 5.16 1.2361 2 6 0 77.84 1.40 1.2271 3 0 4 78.10 1.02 1.2237 4 1 1 78.51 1.01 1.2184 2 6 1 78.65 1.81 1.2166 2 5 3 78.80 5.84 1.2146 3 1 4 79.36 1.16 1.2073 2 4 4 79.63 1.07 1.2039 4 2 0 79.69 1.94 1.2033 0 0 6 79.70 6.35 1.2030 1 5 4 79.88 8.25 1.2009 2 2 5 79.92 1.30 1.2004 0 7 1 80.33 2.50 1.1952 0 4 5 80.43 3.64 1.1941 3 5 0 80.64 1.04 1.1914 0 1 6 80.96 3.64 1.1875 4 2 1 81.33 1.19 1.1830 1 7 0 82.08 4.05 1.1742 4 1 2 82.42 2.34 1.1701 1 0 6 82.48 1.55 1.1694 2 6 2 82.65 2.61 1.1675 1 7 1 83.37 3.19 1.1592 1 1 6 83.78 2.49 1.1546 3 4 3 83.88 2.43 1.1535 0 7 2 85.68 3.34 1.1338 4 3 1 87.37 2.27 1.1161 0 6 4 87.87 2.13 1.1111 2 5 4 88.63 3.03 1.1035 4 1 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.