Zincolibethenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150008 Williams P A, Leverett P, Birch W D, Hibbs D E, Kilitsch U, Mihajlovic T Australian Journal of Mineralogy 12 (2006) 3-7 Zinc-rich zincolibethenite from Broken Hill, New South Wales Locality: Block 14 open cut, Broken Hill, New South Wales, Australia Note: z-coordinate of O3 altered by communication with authors, April 2010 _database_code_amcsd 0012060 CELL PARAMETERS: 8.3120 8.2640 5.8690 90.000 90.000 90.000 SPACE GROUP: Pnnm ATOM X Y Z OCCUPANCY ISO(B) Zn 0.36060 0.37090 0.50000 1.000 0.632 Cu 0.00000 0.50000 0.25090 0.940 0.790 Zn 0.00000 0.50000 0.25090 0.060 0.790 P 0.23350 0.25290 0.00000 0.980 0.474 As 0.23350 0.25290 0.00000 0.020 0.474 O 0.10980 0.11310 0.00000 1.000 0.869 O 0.13290 0.41310 0.00000 1.000 0.711 O 0.34050 0.24250 0.21190 1.000 0.869 Oh 0.11670 0.39370 0.50000 1.000 0.711 H 0.09200 0.30700 0.50000 1.000 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 17.48300768 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.12 100.00 5.8604 1 1 0 18.51 76.85 4.7943 1 0 1 18.54 98.09 4.7851 0 1 1 21.38 1.36 4.1560 2 0 0 21.43 1.80 4.1470 1 1 1 23.97 24.97 3.7129 2 1 0 24.05 57.79 3.7000 1 2 0 30.46 11.71 2.9345 0 0 2 30.51 94.85 2.9302 2 2 0 34.13 49.09 2.6270 3 1 0 34.17 86.71 2.6239 1 1 2 34.20 28.91 2.6216 2 2 1 34.29 52.59 2.6148 1 3 0 35.84 26.13 2.5055 3 0 1 36.02 21.32 2.4937 0 3 1 37.51 19.41 2.3977 3 1 1 37.52 37.33 2.3972 2 0 2 37.59 15.53 2.3925 0 2 2 37.66 30.39 2.3885 1 3 1 39.15 6.09 2.3012 3 2 0 39.18 33.99 2.2992 1 2 2 39.24 1.34 2.2961 2 3 0 43.55 1.55 2.0780 4 0 0 43.65 12.21 2.0735 2 2 2 44.98 2.60 2.0153 4 1 0 46.39 5.53 1.9573 3 1 2 46.49 1.47 1.9535 3 3 0 46.52 4.16 1.9522 1 3 2 47.71 11.93 1.9060 4 1 1 47.76 9.35 1.9043 1 0 3 47.78 6.18 1.9037 0 1 3 47.95 10.65 1.8973 1 4 1 49.07 4.45 1.8565 4 2 0 49.09 1.39 1.8557 1 1 3 49.25 2.19 1.8500 2 4 0 50.39 5.50 1.8108 3 2 2 50.47 4.08 1.8083 2 3 2 51.64 4.09 1.7700 4 2 1 54.08 21.76 1.6959 4 0 2 54.30 34.29 1.6893 0 4 2 56.46 6.72 1.6298 5 1 0 56.56 6.34 1.6270 2 2 3 56.60 29.56 1.6261 3 3 2 56.79 8.82 1.6211 1 5 0 57.68 9.63 1.5981 3 0 3 57.75 8.53 1.5964 4 3 1 57.81 4.09 1.5950 0 3 3 57.85 8.10 1.5940 3 4 1 57.97 3.25 1.5909 0 5 1 58.80 8.10 1.5703 5 1 1 58.86 5.33 1.5690 3 1 3 58.86 26.57 1.5689 4 2 2 58.96 3.46 1.5664 1 3 3 59.02 11.45 1.5650 2 4 2 59.12 12.53 1.5626 1 5 1 59.98 5.22 1.5423 5 2 0 60.26 1.14 1.5358 2 5 0 62.29 1.11 1.4905 3 2 3 63.39 18.39 1.4672 0 0 4 63.50 22.50 1.4651 4 4 0 64.53 3.43 1.4441 4 3 2 65.51 4.12 1.4248 5 1 2 65.59 2.45 1.4233 1 1 4 65.59 1.39 1.4233 5 3 0 65.82 3.13 1.4190 1 5 2 66.62 3.74 1.4037 4 1 3 66.81 1.76 1.4002 1 4 3 67.63 2.59 1.3853 6 0 0 68.70 1.32 1.3663 6 1 0 68.76 7.09 1.3652 5 2 2 68.80 1.31 1.3646 2 1 4 68.84 4.44 1.3639 1 2 4 69.02 6.79 1.3607 2 5 2 69.13 1.74 1.3588 1 6 0 69.85 1.20 1.3466 4 2 3 71.88 2.15 1.3135 6 2 0 71.97 10.23 1.3120 2 2 4 72.05 4.81 1.3108 4 4 2 72.27 5.11 1.3074 2 6 0 73.95 2.09 1.2818 6 2 1 74.00 8.26 1.2810 3 1 4 74.02 6.13 1.2806 5 3 2 74.10 8.49 1.2796 1 3 4 74.22 6.74 1.2778 3 5 2 74.33 2.03 1.2761 2 6 1 75.08 2.93 1.2653 4 3 3 75.11 1.46 1.2647 5 4 1 75.16 1.45 1.2641 3 4 3 75.22 1.87 1.2632 4 5 1 75.27 1.58 1.2625 0 5 3 75.96 2.70 1.2528 6 0 2 76.00 6.06 1.2522 5 1 3 76.28 3.28 1.2482 1 5 3 76.38 3.27 1.2468 0 6 2 76.98 1.08 1.2386 6 1 2 77.09 1.17 1.2372 3 2 4 77.40 1.56 1.2330 1 6 2 80.41 1.28 1.1942 2 6 2 81.28 1.68 1.1836 4 5 2 82.25 1.09 1.1721 5 5 0 83.11 1.03 1.1621 0 1 5 83.53 1.54 1.1574 0 7 1 84.37 1.09 1.1480 4 6 0 89.91 5.06 1.0911 7 1 2 89.97 1.17 1.0905 6 2 3 89.98 2.79 1.0904 5 1 4 89.98 3.17 1.0904 7 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.