Zincolibethenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060763 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: 8.3350 8.2490 5.8800 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: 17.40279128 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.11 100.00 5.8631 1 1 0 18.47 77.16 4.8047 1 0 1 18.53 98.13 4.7881 0 1 1 21.32 1.36 4.1675 2 0 0 21.40 1.81 4.1518 1 1 1 23.92 25.06 3.7197 2 1 0 24.07 57.59 3.6967 1 2 0 30.40 11.76 2.9400 0 0 2 30.49 94.88 2.9315 2 2 0 34.05 49.36 2.6330 3 1 0 34.12 87.02 2.6281 1 1 2 34.18 28.94 2.6236 2 2 1 34.34 52.32 2.6112 1 3 0 35.74 26.31 2.5120 3 0 1 36.06 21.22 2.4908 0 3 1 37.42 19.52 2.4031 3 1 1 37.43 37.54 2.4024 2 0 2 37.57 15.54 2.3940 0 2 2 37.69 30.28 2.3865 1 3 1 39.09 6.11 2.3043 3 2 0 39.15 34.04 2.3010 1 2 2 39.25 1.34 2.2951 2 3 0 43.43 1.57 2.0838 4 0 0 43.60 12.24 2.0759 2 2 2 44.86 2.63 2.0203 4 1 0 46.29 5.57 1.9614 3 1 2 46.46 1.47 1.9544 3 3 0 46.52 4.16 1.9524 1 3 2 47.59 12.02 1.9107 4 1 1 47.66 9.40 1.9080 1 0 3 47.69 6.21 1.9069 0 1 3 48.01 10.59 1.8951 1 4 1 48.98 4.47 1.8599 4 2 0 49.00 1.40 1.8589 1 1 3 49.30 2.18 1.8483 2 4 0 50.31 5.53 1.8136 3 2 2 50.44 4.08 1.8091 2 3 2 51.54 4.11 1.7733 4 2 1 53.93 21.95 1.7000 4 0 2 54.34 34.17 1.6883 0 4 2 56.30 6.78 1.6340 5 1 0 56.48 6.36 1.6294 2 2 3 56.54 29.63 1.6276 3 3 2 56.89 8.75 1.6184 1 5 0 57.55 9.71 1.6016 3 0 3 57.68 8.56 1.5982 4 3 1 57.77 4.09 1.5960 0 3 3 57.85 8.09 1.5939 3 4 1 58.07 3.23 1.5885 0 5 1 58.64 8.17 1.5743 5 1 1 58.73 5.36 1.5722 3 1 3 58.74 26.74 1.5718 4 2 2 58.92 3.46 1.5675 1 3 3 59.03 11.43 1.5648 2 4 2 59.22 12.45 1.5604 1 5 1 59.84 5.26 1.5455 5 2 0 60.34 1.13 1.5340 2 5 0 62.18 1.12 1.4930 3 2 3 63.26 18.52 1.4700 0 0 4 63.46 22.52 1.4658 4 4 0 64.44 3.45 1.4460 4 3 2 65.34 4.16 1.4282 5 1 2 65.46 2.47 1.4259 1 1 4 65.48 1.40 1.4255 5 3 0 65.88 3.12 1.4178 1 5 2 66.46 3.77 1.4068 4 1 3 66.80 1.76 1.4005 1 4 3 67.41 2.62 1.3892 6 0 0 68.49 1.33 1.3699 6 1 0 68.60 7.15 1.3680 5 2 2 68.65 1.32 1.3671 2 1 4 68.72 4.46 1.3660 1 2 4 69.06 6.77 1.3600 2 5 2 69.27 1.73 1.3565 1 6 0 69.70 1.21 1.3491 4 2 3 71.69 2.16 1.3165 6 2 0 71.84 10.29 1.3140 2 2 4 71.99 4.82 1.3118 4 4 2 72.38 5.08 1.3056 2 6 0 73.75 2.11 1.2847 6 2 1 73.83 8.32 1.2835 3 1 4 73.89 6.17 1.2827 5 3 2 74.00 8.52 1.2810 1 3 4 74.23 6.73 1.2776 3 5 2 74.43 2.02 1.2746 2 6 1 74.95 2.95 1.2671 4 3 3 75.03 1.46 1.2660 5 4 1 75.10 1.46 1.2649 3 4 3 75.22 1.87 1.2633 4 5 1 75.29 1.58 1.2622 0 5 3 75.73 2.73 1.2560 6 0 2 75.80 6.10 1.2550 5 1 3 76.30 3.28 1.2480 1 5 3 76.49 3.25 1.2454 0 6 2 76.76 1.09 1.2417 6 1 2 76.93 1.17 1.2393 3 2 4 77.50 1.55 1.2317 1 6 2 80.49 1.27 1.1932 2 6 2 81.26 1.68 1.1840 4 5 2 82.21 1.09 1.1726 5 5 0 82.93 1.04 1.1642 0 1 5 83.70 1.53 1.1555 0 7 1 84.41 1.09 1.1476 4 6 0 89.62 5.09 1.0939 7 1 2 89.73 1.17 1.0929 6 2 3 89.73 2.81 1.0928 5 1 4 89.75 3.19 1.0927 7 3 0 89.87 1.71 1.0915 2 2 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.