Churchite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050421 Kohlmann M, Sowa H, Reithmayer K, Schulz H, Kruger R R, Abriel W Acta Crystallographica C50 (1994) 1651-1652 Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation Note: anisoU's taken from ICSD Note: isostructural with gypsum Locality: synthetic _database_code_amcsd 0010295 CELL PARAMETERS: 5.5910 15.0300 6.2980 90.000 117.860 90.000 SPACE GROUP: I2/a ATOM X Y Z OCCUPANCY ISO(B) Y 0.25000 0.82890 0.00000 0.947 0.466 Dy 0.25000 0.82890 0.00000 0.028 0.466 Er 0.25000 0.82890 0.00000 0.018 0.466 Gd 0.25000 0.82890 0.00000 0.007 0.466 P 0.25000 0.33070 0.00000 1.000 1.026 O 0.30200 0.38570 0.22400 1.000 1.579 O 0.50600 0.27140 0.08400 1.000 1.184 Wa 0.63000 0.06800 0.21800 1.000 1.737 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 13 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 27.98632245 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.78 79.04 7.5150 0 2 0 16.98 11.38 5.2212 0 1 1 18.90 24.03 4.6955 1 1 0 21.20 100.00 4.1910 -1 2 1 23.68 12.20 3.7575 0 4 0 23.89 11.90 3.7243 0 3 1 29.14 2.67 3.0649 -1 1 2 29.64 71.89 3.0144 -1 4 1 31.61 45.07 2.8301 1 2 1 32.15 6.76 2.7840 0 0 2 32.59 1.50 2.7474 -2 1 1 33.89 1.33 2.6451 0 5 1 34.35 31.09 2.6106 0 2 2 35.56 5.14 2.5246 -2 0 2 35.85 2.78 2.5050 0 6 0 36.35 14.69 2.4715 2 0 0 36.83 11.08 2.4405 -2 3 1 37.58 7.93 2.3931 -2 2 2 37.96 9.03 2.3704 1 4 1 38.34 1.79 2.3478 2 2 0 41.65 17.99 2.1683 -1 5 2 43.17 2.69 2.0955 -2 4 2 43.85 11.45 2.0649 2 4 0 44.25 11.13 2.0467 -2 5 1 44.60 10.32 2.0316 1 1 2 45.06 9.83 2.0119 -1 2 3 45.79 6.56 1.9815 -2 1 3 46.09 8.65 1.9694 1 7 0 47.07 6.11 1.9305 2 1 1 48.45 2.95 1.8787 0 8 0 48.91 19.52 1.8622 0 6 2 49.07 4.26 1.8566 -2 3 3 49.78 6.45 1.8317 -3 1 2 49.97 12.41 1.8252 -1 4 3 50.28 3.88 1.8145 2 3 1 51.39 16.63 1.7782 -2 6 2 51.40 6.96 1.7777 -3 2 1 51.62 1.92 1.7707 -1 7 2 51.93 4.41 1.7608 -1 8 1 51.98 11.68 1.7593 2 6 0 52.58 4.20 1.7404 0 3 3 54.15 1.98 1.6939 1 5 2 55.89 9.63 1.6450 -3 4 1 55.99 5.34 1.6424 -3 2 3 57.45 1.60 1.6039 -1 6 3 57.60 4.74 1.6004 1 8 1 57.62 4.41 1.5996 0 9 1 59.01 6.43 1.5653 -2 0 4 59.34 1.82 1.5573 0 8 2 60.25 2.14 1.5360 -3 4 3 60.41 1.47 1.5324 -2 2 4 60.62 2.15 1.5275 2 0 2 61.53 2.82 1.5072 -2 8 2 62.00 1.05 1.4969 2 2 2 62.05 2.43 1.4957 2 8 0 62.34 1.73 1.4894 1 2 3 64.49 1.53 1.4448 3 5 0 64.67 2.35 1.4413 -3 1 4 64.71 2.32 1.4405 -1 10 1 66.36 5.51 1.4087 1 4 3 66.97 4.21 1.3973 -4 0 2 67.01 1.85 1.3966 -1 8 3 67.26 3.40 1.3920 0 0 4 67.56 3.33 1.3865 3 2 1 68.28 1.08 1.3737 -4 2 2 69.17 1.21 1.3582 -4 1 3 69.73 6.49 1.3486 1 10 1 71.01 2.13 1.3275 -2 6 4 71.04 1.29 1.3270 0 11 1 71.43 2.63 1.3207 3 4 1 71.66 1.81 1.3170 1 11 0 71.73 1.25 1.3159 -4 3 3 72.05 2.27 1.3108 -3 8 1 72.28 1.32 1.3071 3 7 0 72.40 1.47 1.3053 0 4 4 72.47 3.78 1.3042 2 6 2 75.90 2.58 1.2536 -3 8 3 75.98 1.33 1.2525 0 12 0 76.02 1.69 1.2519 -1 7 4 76.53 1.02 1.2448 -4 2 4 77.20 1.39 1.2357 4 0 0 78.36 1.54 1.2203 -4 6 2 78.39 2.38 1.2199 -1 10 3 78.43 2.04 1.2194 4 2 0 78.63 2.06 1.2168 0 6 4 79.16 1.73 1.2100 -3 2 5 79.74 1.56 1.2026 -2 8 4 80.00 2.91 1.1993 -1 2 5 81.15 2.05 1.1852 2 8 2 81.46 2.36 1.1815 1 8 3 82.82 2.60 1.1655 -3 4 5 83.18 1.30 1.1614 -3 10 1 83.66 1.75 1.1560 -1 4 5 84.90 2.11 1.1422 0 12 2 86.22 1.01 1.1281 3 8 1 86.30 2.94 1.1273 -4 6 4 86.80 2.04 1.1220 -2 12 2 86.89 4.37 1.1211 -3 10 3 87.14 1.19 1.1185 0 8 4 87.27 1.66 1.1172 2 12 0 88.16 2.27 1.1082 4 6 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.