Moraesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060876 Merlino S, Pasero M Zeitschrift fur Kristallographie 201 (1992) 253-262 Crystal chemistry of beryllophosphates: The crystal structure of moraesite, Be2(PO4)(OH)*4H2O Locality: Humaita, Brazil CELL PARAMETERS: 8.5540 12.2880 7.1360 90.000 97.790 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Be 0.62300 0.62500 0.62400 1.000 1.895 P 0.50000 0.57530 0.25000 1.000 1.105 O 0.62300 0.50640 0.17600 1.000 1.342 O 0.57800 0.65170 0.40400 1.000 2.132 OH 0.50000 0.68500 0.75000 1.000 2.921 Wa 0.80500 0.66240 0.69600 1.000 3.000 Wa 0.39800 0.09100 0.05200 1.000 4.737 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 11 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.347829097 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.69 100.00 6.9766 1 1 0 14.42 12.48 6.1440 0 2 0 16.83 17.64 5.2685 -1 1 1 20.96 13.70 4.2375 2 0 0 25.19 12.19 3.5351 0 0 2 25.54 3.50 3.4883 2 2 0 26.59 1.19 3.3519 -1 3 1 26.97 1.54 3.3056 -1 1 2 27.22 75.76 3.2767 -2 2 1 27.94 11.51 3.1935 1 3 1 29.07 12.14 3.0720 0 4 0 29.58 49.67 3.0204 1 1 2 30.66 2.37 2.9159 -2 0 2 31.76 25.84 2.8175 0 4 1 32.52 5.32 2.7532 3 1 0 33.33 1.85 2.6884 -3 1 1 34.08 1.62 2.6307 -1 3 2 36.22 1.04 2.4800 1 3 2 36.56 1.28 2.4581 3 1 1 37.36 2.77 2.4069 -2 4 1 38.13 2.66 2.3604 1 5 0 38.22 5.46 2.3551 2 2 2 38.72 9.37 2.3255 3 3 0 38.95 4.09 2.3124 -1 1 3 39.80 1.78 2.2647 -1 5 1 40.76 3.10 2.2139 1 5 1 41.02 4.96 2.2004 0 2 3 41.80 2.27 2.1609 1 1 3 42.24 6.05 2.1394 3 3 1 42.76 2.55 2.1149 -2 4 2 44.16 12.17 2.0507 -3 3 2 44.22 1.20 2.0480 0 6 0 44.29 2.63 2.0451 3 1 2 44.38 7.27 2.0412 -1 3 3 45.27 1.51 2.0030 4 2 0 45.39 1.10 1.9981 -1 5 2 45.46 2.98 1.9954 -4 2 1 46.27 5.27 1.9620 2 4 2 46.91 2.69 1.9368 -4 0 2 46.96 1.74 1.9348 1 3 3 48.70 2.97 1.8699 0 4 3 48.82 2.21 1.8655 4 2 1 49.43 1.75 1.8439 2 6 0 50.40 1.23 1.8105 -2 6 1 51.57 1.52 1.7721 0 6 2 52.08 1.09 1.7562 -3 3 3 52.10 4.70 1.7556 3 5 1 54.77 1.38 1.6759 -2 6 2 55.67 1.50 1.6511 4 4 1 56.14 2.01 1.6384 -4 4 2 56.19 3.78 1.6371 1 5 3 56.34 1.88 1.6330 -4 2 3 58.18 1.29 1.5857 -3 1 4 58.77 1.14 1.5713 -5 3 1 59.11 2.02 1.5629 -1 7 2 59.31 1.29 1.5580 2 0 4 60.75 1.04 1.5246 -3 5 3 61.39 1.46 1.5102 2 2 4 64.82 1.27 1.4383 3 7 1 66.44 1.04 1.4072 -4 6 2 67.08 1.23 1.3953 5 5 0 68.06 2.07 1.3776 -6 0 2 69.12 1.05 1.3590 -2 8 2 70.69 1.56 1.3327 4 4 3 74.41 1.43 1.2749 4 0 4 76.19 2.06 1.2496 -1 7 4 78.43 1.90 1.2194 5 7 0 81.34 1.30 1.1829 -3 9 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.