Metazeunerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R110205 Hennig C, Reck G, Reich T, Robberg A, Kraus W, Sieler J Zeitschrift fur Kristallographie 218 (2003) 37-45 EXAFS and XRD investigations of zeunerite and meta-zeunerite Locality: synthetic Sample: Disordered _database_code_amcsd 0011098 CELL PARAMETERS: 7.0530 7.0530 8.6510 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/nmm ATOM X Y Z OCCUPANCY ISO(B) Cu 0.25000 0.25000 0.37830 0.500 1.658 U 0.25000 0.25000 0.88960 1.000 1.105 As 0.75000 0.25000 0.00000 1.000 1.263 O 0.25000 0.25000 0.09440 1.000 1.342 O 0.25000 0.25000 0.68590 1.000 1.342 Oe 0.80050 0.43300 0.11570 0.500 1.500 Wa 0.18700 0.51690 0.38360 0.500 4.422 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 83.54090578 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.23 100.00 8.6510 0 0 1 16.21 38.43 5.4665 1 0 1 17.78 38.73 4.9872 1 1 0 20.53 7.71 4.3255 0 0 2 20.56 6.57 4.3207 1 1 1 24.14 92.06 3.6873 1 0 2 25.25 69.28 3.5265 2 0 0 27.29 1.71 3.2677 1 1 2 27.31 51.33 3.2656 2 0 1 30.16 22.93 2.9634 2 1 1 32.77 6.70 2.7332 2 0 2 33.57 9.10 2.6692 1 0 3 35.21 21.39 2.5486 2 1 2 35.98 8.17 2.4964 1 1 3 36.02 15.57 2.4936 2 2 0 37.54 21.77 2.3961 2 2 1 39.73 6.04 2.2687 3 0 1 40.44 17.17 2.2304 3 1 0 41.77 6.32 2.1628 0 0 4 41.81 2.81 2.1603 2 2 2 41.83 4.16 2.1597 3 1 1 42.47 12.30 2.1283 2 1 3 43.78 2.19 2.0677 1 0 4 43.83 20.29 2.0656 3 0 2 45.73 17.94 1.9842 1 1 4 47.66 6.62 1.9080 3 2 1 49.44 4.70 1.8436 2 0 4 50.06 4.38 1.8222 3 0 3 51.21 1.57 1.7837 2 1 4 51.26 15.53 1.7824 3 2 2 51.82 6.79 1.7642 3 1 3 51.85 10.26 1.7632 4 0 0 53.00 5.69 1.7277 4 0 1 54.70 2.56 1.6781 4 1 1 55.26 3.26 1.6624 3 3 0 56.28 7.75 1.6346 1 1 5 56.31 1.28 1.6338 2 2 4 56.35 1.35 1.6328 4 0 2 56.36 1.01 1.6325 3 3 1 56.88 5.57 1.6188 3 2 3 57.98 11.53 1.5907 4 1 2 58.53 12.03 1.5771 4 2 0 59.51 1.92 1.5533 2 0 5 59.54 20.37 1.5526 3 1 4 59.59 7.58 1.5515 4 2 1 62.70 1.80 1.4817 4 2 2 63.20 2.59 1.4712 4 1 3 64.20 1.03 1.4508 3 2 4 64.73 1.77 1.4402 3 3 3 65.68 1.34 1.4215 2 2 5 66.15 3.88 1.4126 1 0 6 67.25 1.80 1.3922 4 3 1 67.64 1.97 1.3851 1 1 6 67.74 1.74 1.3832 5 1 0 68.65 9.07 1.3671 3 1 5 68.68 2.12 1.3666 4 0 4 70.18 1.83 1.3411 5 0 2 70.18 5.87 1.3411 4 3 2 71.59 5.56 1.3180 3 3 4 72.02 3.06 1.3113 2 1 6 73.07 1.21 1.2950 5 2 1 74.46 2.73 1.2743 4 2 4 74.95 2.04 1.2671 4 3 3 74.95 1.04 1.2671 5 0 3 75.91 3.66 1.2535 5 2 2 76.36 1.70 1.2472 5 1 3 76.39 2.22 1.2468 4 4 0 77.32 1.88 1.2341 4 4 1 77.69 2.50 1.2291 3 0 6 78.59 1.10 1.2173 1 0 7 79.09 2.69 1.2109 3 1 6 79.19 1.18 1.2096 5 3 0 80.05 2.90 1.1987 3 3 5 80.55 1.47 1.1925 5 2 3 81.96 1.61 1.1755 6 0 0 82.84 5.05 1.1653 5 1 4 82.88 1.93 1.1648 6 0 1 83.25 2.99 1.1606 3 2 6 84.13 1.89 1.1507 2 1 7 84.26 1.25 1.1492 6 1 1 87.00 2.96 1.1200 6 1 2 87.44 1.19 1.1154 5 3 3 87.47 3.31 1.1152 6 2 0 88.38 2.85 1.1060 6 2 1 88.74 2.61 1.1025 4 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.