Metazeunerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060301 Locock A J, Burns P C The Canadian Mineralogist 41 (2003) 489-502 Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Tobernite, zeunerite, metatorbernite and metazeunerite CELL PARAMETERS: 7.0520 7.0520 17.3900 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/n ATOM X Y Z OCCUPANCY ISO(B) U 0.25000 0.25000 0.05610 1.000 0.790 U 0.25000 0.25000 0.55450 1.000 7.106 Cu 0.25000 0.25000 0.31110 1.000 1.342 As 0.25000 0.75000 0.00000 1.000 0.790 As 0.25000 0.75000 0.50000 1.000 0.711 O 0.25000 0.25000 0.45150 1.000 1.500 O 0.25000 0.25000 -0.04520 1.000 1.895 O 0.25000 0.25000 0.65620 1.000 1.342 O 0.25000 0.25000 0.15920 1.000 1.342 O 0.29380 0.93290 0.05800 1.000 1.421 O 0.19490 0.93270 0.55720 1.000 1.263 O 0.52230 0.28560 0.30960 1.000 1.816 O 0.35340 0.50750 -0.19400 1.000 2.290 H 0.37800 0.57000 -0.14700 1.000 3.948 H 0.57700 0.34900 0.35100 1.000 3.948 H 0.57500 0.34800 0.26600 1.000 3.948 H 0.21800 0.50700 -0.19900 1.000 3.948 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: 85.12860281 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.08 1.43 17.3900 0 0 1 10.17 100.00 8.6950 0 0 2 13.55 5.63 6.5351 1 0 1 16.18 37.69 5.4771 1 0 2 17.79 34.16 4.9865 1 1 0 20.43 7.12 4.3475 0 0 4 20.53 5.00 4.3257 1 1 2 23.53 1.21 3.7803 1 1 3 24.05 79.97 3.7008 1 0 4 25.26 62.06 3.5260 2 0 0 27.21 1.94 3.2769 1 1 4 27.29 46.83 3.2676 2 0 2 28.77 3.88 3.1031 2 1 1 29.66 1.61 3.0125 2 0 3 30.14 9.27 2.9648 2 1 2 30.14 8.34 2.9648 1 2 2 32.70 6.20 2.7385 2 0 4 33.43 7.41 2.6808 1 0 6 35.15 7.58 2.5528 2 1 4 35.15 9.87 2.5528 1 2 4 35.84 6.98 2.5058 1 1 6 36.02 14.52 2.4933 2 2 0 37.53 16.37 2.3967 2 2 2 38.65 1.31 2.3295 3 0 1 39.72 4.99 2.2692 3 0 2 40.45 5.86 2.2300 3 1 0 40.45 7.11 2.2300 1 3 0 41.54 4.62 2.1737 0 0 8 41.76 2.59 2.1628 2 2 4 41.82 1.21 2.1601 3 1 2 42.35 3.98 2.1340 2 1 6 42.35 3.56 2.1340 1 2 6 43.48 1.83 2.0813 3 1 3 43.57 1.57 2.0773 1 0 8 43.78 15.12 2.0678 3 0 4 45.52 14.90 1.9926 1 1 8 46.54 1.05 1.9515 2 1 7 47.66 2.35 1.9082 3 2 2 47.66 1.88 1.9082 2 3 2 48.49 1.01 1.8773 3 1 5 49.24 2.88 1.8504 2 0 8 49.95 3.10 1.8257 3 0 6 51.22 5.22 1.7837 3 2 4 51.22 6.01 1.7837 2 3 4 51.72 2.82 1.7674 3 1 6 51.72 2.62 1.7674 1 3 6 51.86 7.82 1.7630 4 0 0 53.00 4.36 1.7278 4 0 2 55.27 2.05 1.6622 3 3 0 56.00 5.39 1.6420 1 1 10 56.31 1.18 1.6338 4 0 4 56.78 1.67 1.6213 3 2 6 56.78 1.32 1.6213 2 3 6 57.94 3.48 1.5916 1 4 4 57.94 3.74 1.5916 4 1 4 58.54 4.50 1.5769 2 4 0 58.54 4.43 1.5769 4 2 0 59.37 7.31 1.5566 3 1 8 59.37 8.17 1.5566 1 3 8 59.59 2.47 1.5516 2 4 2 59.59 2.75 1.5516 4 2 2 64.64 1.33 1.4419 3 3 6 65.79 2.59 1.4195 1 0 12 67.28 1.37 1.3916 1 1 12 68.41 2.94 1.3713 1 3 10 68.41 3.21 1.3713 3 1 10 68.53 1.05 1.3693 4 0 8 70.15 1.72 1.3416 3 4 4 70.15 1.61 1.3416 4 3 4 71.44 4.10 1.3204 3 3 8 76.40 1.46 1.2466 4 4 0 77.32 1.21 1.2340 4 4 2 77.36 1.57 1.2336 3 0 12 79.82 1.81 1.2016 3 3 10 81.98 1.12 1.1753 6 0 0 82.70 1.78 1.1669 5 1 8 82.70 1.47 1.1669 1 5 8 82.89 1.17 1.1647 6 0 2 87.48 1.08 1.1150 2 6 0 87.48 1.03 1.1150 6 2 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.