Metazeunerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070314 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: Ordered _database_code_amcsd 0011097 CELL PARAMETERS: 7.0490 7.0490 17.3460 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/ncc ATOM X Y Z OCCUPANCY ISO(B) Cu 0.25000 0.25000 0.68920 0.500 1.658 U 0.25000 0.25000 0.44480 1.000 1.184 As 0.75000 0.25000 0.50000 1.000 1.342 O 0.25000 0.25000 0.54730 1.000 1.342 O 0.25000 0.25000 0.34290 1.000 1.421 O 0.19870 0.56700 0.44100 1.000 0.632 Wa 0.18900 0.98200 0.69130 1.000 2.211 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 83.14921072 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.20 100.00 8.6730 0 0 2 16.20 38.27 5.4702 1 0 2 17.79 38.24 4.9844 1 1 0 20.48 7.42 4.3365 0 0 4 20.55 6.71 4.3216 1 1 2 24.09 93.59 3.6935 1 0 4 25.27 69.22 3.5245 2 0 0 27.26 1.66 3.2716 1 1 4 27.31 51.03 3.2652 2 0 2 28.78 2.77 3.1016 2 1 1 30.16 23.34 2.9628 2 1 2 32.74 6.69 2.7351 2 0 4 33.50 8.86 2.6748 1 0 6 35.20 19.96 2.5499 2 1 4 35.91 8.12 2.5008 1 1 6 36.04 14.65 2.4922 2 2 0 37.55 22.40 2.3953 2 2 2 39.74 5.82 2.2679 3 0 2 40.47 17.45 2.2291 3 1 0 41.65 6.91 2.1683 0 0 8 41.80 2.83 2.1608 2 2 4 41.84 4.06 2.1589 3 1 2 42.42 12.76 2.1307 2 1 6 43.51 1.54 2.0799 3 1 3 43.68 2.16 2.0724 1 0 8 43.82 21.27 2.0659 3 0 4 45.63 17.57 1.9883 1 1 8 47.68 6.68 1.9072 3 2 2 49.35 4.66 1.8468 2 0 8 50.02 4.15 1.8234 3 0 6 51.13 1.59 1.7865 2 1 8 51.26 15.31 1.7823 3 2 4 51.79 6.75 1.7653 3 1 6 51.88 10.51 1.7622 4 0 0 53.03 5.33 1.7270 4 0 2 54.72 2.33 1.6774 4 1 2 55.29 3.35 1.6615 3 3 0 56.14 7.75 1.6382 1 1 10 56.36 1.34 1.6326 4 0 4 56.85 5.60 1.6195 3 2 6 57.99 11.87 1.5905 4 1 4 58.56 12.05 1.5762 4 2 0 59.39 1.93 1.5563 2 0 10 59.47 20.70 1.5542 3 1 8 59.62 7.27 1.5508 4 2 2 62.72 1.78 1.4814 4 2 4 63.18 2.36 1.4716 4 1 6 64.14 1.01 1.4520 3 2 8 64.71 1.75 1.4405 3 3 6 65.57 1.48 1.4237 2 2 10 65.97 4.11 1.4160 1 0 12 67.28 1.69 1.3915 4 3 2 67.46 1.96 1.3883 1 1 12 67.79 1.59 1.3824 5 1 0 68.55 8.88 1.3690 3 1 10 68.63 2.28 1.3675 4 0 8 70.20 5.97 1.3407 4 3 4 70.20 1.61 1.3407 5 0 4 71.54 5.67 1.3188 3 3 8 71.85 2.64 1.3140 2 1 12 73.11 1.18 1.2943 5 2 2 74.41 2.80 1.2749 4 2 8 74.95 1.90 1.2672 4 3 6 74.95 1.05 1.2672 5 0 6 75.93 3.45 1.2531 5 2 4 76.36 1.67 1.2472 5 1 6 76.44 2.20 1.2461 4 4 0 77.37 1.80 1.2334 4 4 2 77.54 2.71 1.2312 3 0 12 78.36 1.01 1.2203 1 0 14 78.94 2.65 1.2128 3 1 12 79.24 1.09 1.2089 5 3 0 79.96 2.82 1.1999 3 3 10 80.56 1.43 1.1924 5 2 6 82.02 1.47 1.1748 6 0 0 82.81 4.68 1.1657 5 1 8 82.93 2.01 1.1642 6 0 2 83.10 2.93 1.1623 3 2 12 83.91 1.95 1.1531 2 1 14 84.31 1.32 1.1486 6 1 2 87.04 2.83 1.1196 6 1 4 87.45 1.16 1.1153 5 3 6 87.53 3.29 1.1145 6 2 0 88.43 2.82 1.1055 6 2 2 88.60 2.70 1.1038 4 1 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.