Hopeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130562 Whitaker A Acta Crystallographica B31 (1975) 2026-2035 The crystal structure of hopeite, Zn3(PO4)2*4H2O Locality: synthetic _database_code_amcsd 0009537 CELL PARAMETERS: 10.6240 18.3730 5.0440 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Zn 0.23618 0.25000 0.57284 1.000 1.362 Zn 0.14267 -0.00087 0.20768 1.000 0.564 P 0.10285 0.09421 0.72589 1.000 0.538 O 0.14010 0.17265 0.78465 1.000 1.318 O 0.10004 0.07994 0.42983 1.000 1.805 O 0.47552 0.07867 0.64140 1.000 1.149 O 0.19796 0.04067 0.86067 1.000 0.789 Wa 0.10737 0.25000 0.25730 1.000 1.435 Wa 0.38614 0.25000 0.84901 1.000 1.762 Wa 0.33521 0.16977 0.33917 1.000 1.756 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 19.13120390 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.63 49.10 9.1865 0 2 0 16.69 18.36 5.3120 2 0 0 17.38 16.09 5.1030 2 1 0 18.24 21.98 4.8640 0 1 1 19.30 9.52 4.5986 2 2 0 19.32 49.45 4.5932 0 4 0 19.48 1.40 4.5565 1 0 1 20.08 37.72 4.4226 1 1 1 21.77 5.46 4.0820 1 2 1 22.15 17.62 4.0128 2 3 0 22.84 10.98 3.8935 0 3 1 24.33 4.29 3.6577 2 0 1 24.35 6.98 3.6557 1 3 1 25.64 27.25 3.4745 2 4 0 26.22 39.95 3.3983 2 2 1 28.42 8.04 3.1403 2 3 1 29.56 4.11 3.0220 2 5 0 30.09 7.44 2.9700 0 5 1 31.24 4.47 2.8629 3 1 1 31.26 100.00 2.8613 2 4 1 31.27 2.69 2.8604 1 5 1 32.39 3.03 2.7640 3 2 1 33.75 17.03 2.6560 4 0 0 33.79 2.55 2.6529 2 6 0 34.23 24.59 2.6198 3 3 1 34.60 3.46 2.5923 2 5 1 35.17 13.39 2.5515 4 2 0 35.31 6.28 2.5416 1 6 1 35.60 15.63 2.5220 0 0 2 36.96 10.83 2.4320 0 2 2 38.25 2.09 2.3531 2 7 0 38.34 6.03 2.3480 2 6 1 38.67 1.65 2.3283 0 7 1 39.23 6.14 2.2966 0 8 0 39.57 3.95 2.2778 1 3 2 39.58 7.73 2.2768 4 2 1 39.60 1.20 2.2757 3 5 1 39.63 5.12 2.2744 1 7 1 39.87 1.51 2.2609 2 1 2 40.81 3.94 2.2113 2 2 2 40.82 1.67 2.2107 0 4 2 41.14 2.04 2.1941 4 3 1 41.73 8.10 2.1643 1 4 2 41.97 1.71 2.1526 4 5 0 42.90 3.22 2.1080 2 8 0 42.97 10.38 2.1050 3 6 1 44.37 2.05 2.0416 3 1 2 45.19 8.66 2.0064 4 6 0 45.23 10.46 2.0048 3 2 2 45.83 1.45 1.9798 4 5 1 46.65 1.85 1.9471 5 1 1 46.66 6.23 1.9467 0 6 2 46.69 2.15 1.9455 3 7 1 46.70 24.74 1.9450 2 8 1 47.47 1.05 1.9151 5 2 1 48.83 1.23 1.8651 5 3 1 49.86 14.12 1.8289 4 0 2 49.89 5.13 1.8279 2 6 2 51.25 2.74 1.7826 2 9 1 52.64 3.53 1.7387 6 2 0 52.69 1.28 1.7372 4 8 0 52.72 1.24 1.7364 2 10 0 52.99 2.48 1.7281 5 5 1 53.73 2.92 1.7060 3 6 2 53.90 1.55 1.7010 6 3 0 53.96 6.98 1.6991 4 4 2 54.00 1.44 1.6981 0 8 2 54.74 7.11 1.6768 1 8 2 54.96 1.79 1.6707 6 0 1 55.02 3.16 1.6690 3 9 1 55.32 1.60 1.6607 1 0 3 55.94 1.94 1.6438 6 2 1 55.98 2.37 1.6425 4 8 1 56.01 2.26 1.6418 2 10 1 56.30 2.01 1.6342 1 2 3 56.78 3.41 1.6213 0 3 3 57.60 5.91 1.6001 5 2 2 57.73 1.23 1.5969 2 1 3 58.81 11.97 1.5701 6 4 1 58.84 1.53 1.5695 5 7 1 58.89 1.66 1.5682 1 11 1 60.39 8.91 1.5329 6 6 0 60.47 8.83 1.5311 0 12 0 60.56 1.33 1.5289 0 5 3 61.00 2.02 1.5188 3 0 3 61.25 8.14 1.5134 2 4 3 61.35 5.15 1.5110 4 10 0 61.92 1.41 1.4985 3 2 3 62.55 3.73 1.4850 0 10 2 63.30 1.17 1.4692 2 5 3 63.42 1.91 1.4666 6 6 1 63.75 2.12 1.4598 1 6 3 64.28 1.03 1.4492 6 0 2 64.36 3.68 1.4475 4 10 1 64.63 1.68 1.4421 3 4 3 64.97 2.18 1.4354 5 6 2 65.21 5.37 1.4307 4 8 2 65.73 1.31 1.4206 4 0 3 65.76 3.44 1.4201 2 6 3 65.95 1.82 1.4164 4 1 3 66.16 2.02 1.4123 2 12 1 67.81 2.27 1.3820 6 4 2 68.52 1.68 1.3695 3 10 2 69.02 4.86 1.3607 3 6 3 69.59 4.25 1.3510 6 8 1 70.39 1.25 1.3376 6 9 0 70.97 1.34 1.3280 8 0 0 71.07 2.38 1.3265 4 12 0 71.82 2.92 1.3145 2 8 3 72.11 1.64 1.3099 6 6 2 72.18 1.98 1.3088 0 12 2 72.81 1.11 1.2990 1 12 2 72.88 1.56 1.2978 0 9 3 72.99 1.20 1.2962 4 10 2 73.78 1.28 1.2842 8 0 1 74.36 1.05 1.2757 8 4 0 74.62 3.47 1.2719 8 2 1 76.83 4.36 1.2407 1 2 4 77.23 4.17 1.2353 2 14 1 78.60 1.86 1.2172 5 10 2 80.29 1.72 1.1958 6 3 3 80.93 1.18 1.1879 3 0 4 82.09 4.25 1.1740 4 12 2 84.22 1.09 1.1496 8 8 0 85.78 1.31 1.1328 6 6 3 86.91 1.20 1.1209 8 8 1 89.44 3.77 1.0956 2 16 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.