Metatorbernite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040171 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: 6.9605 6.9605 17.3101 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 0.05170 1.000 0.869 U 0.25000 0.25000 0.55130 1.000 0.711 Cu 0.25000 0.25000 0.31120 0.883 1.263 P 0.25000 0.75000 0.00000 1.000 0.790 P 0.25000 0.75000 0.50000 1.000 0.790 O 0.25000 0.25000 0.44900 1.000 1.500 O 0.25000 0.25000 -0.05030 1.000 1.658 O 0.25000 0.25000 0.65390 1.000 1.895 O 0.25000 0.25000 0.15640 1.000 1.816 O 0.28730 0.92330 0.05220 1.000 1.263 O 0.20550 0.92210 0.55190 1.000 1.421 O 0.52660 0.28340 0.31040 1.000 2.369 O 0.34560 0.51530 -0.19170 1.000 2.448 H 0.36300 0.59100 -0.14700 1.000 3.948 H 0.58100 0.38400 0.34000 1.000 3.948 H 0.56800 0.37400 0.27300 1.000 3.948 H 0.22400 0.45300 -0.18600 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: 71.77610686 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.11 1.26 17.3101 0 0 1 10.22 95.08 8.6551 0 0 2 13.71 4.41 6.4580 1 0 1 16.34 42.74 5.4241 1 0 2 18.02 65.15 4.9218 1 1 0 20.52 6.45 4.3275 0 0 4 20.76 26.27 4.2784 1 1 2 24.22 100.00 3.6751 1 0 4 25.60 63.65 3.4802 2 0 0 27.63 47.40 3.2290 2 0 2 29.15 3.32 3.0637 2 1 1 30.52 12.96 2.9291 2 1 2 30.52 11.31 2.9291 1 2 2 33.03 4.95 2.7120 2 0 4 33.63 15.72 2.6652 1 0 6 35.53 12.00 2.5270 2 1 4 35.53 14.84 2.5270 1 2 4 36.09 2.98 2.4889 1 1 6 36.51 14.76 2.4609 2 2 0 38.01 17.18 2.3671 2 2 2 40.24 7.04 2.2410 3 0 2 41.00 13.23 2.2011 3 1 0 41.00 15.33 2.2011 1 3 0 41.74 8.09 2.1638 0 0 8 42.25 1.84 2.1392 2 2 4 42.37 7.11 2.1332 3 1 2 42.37 6.05 2.1332 1 3 2 42.73 8.71 2.1160 2 1 6 42.73 8.00 2.1160 1 2 6 43.81 5.40 2.0662 1 0 8 44.03 1.25 2.0565 3 1 3 44.30 23.42 2.0448 3 0 4 45.81 13.66 1.9808 1 1 8 48.30 3.82 1.8842 3 2 2 48.30 3.30 1.8842 2 3 2 49.61 8.04 1.8376 2 0 8 50.48 7.60 1.8080 3 0 6 51.43 2.05 1.7767 2 1 8 51.43 2.21 1.7767 1 2 8 51.86 9.11 1.7630 3 2 4 51.86 9.96 1.7630 2 3 4 52.28 1.36 1.7500 3 1 6 52.28 1.10 1.7500 1 3 6 52.59 8.95 1.7401 4 0 0 52.89 1.85 1.7310 0 0 10 53.73 5.21 1.7060 4 0 2 55.45 1.42 1.6569 1 4 2 55.45 1.34 1.6569 4 1 2 56.06 5.65 1.6406 3 3 0 56.34 7.41 1.6330 1 1 10 56.64 2.98 1.6250 2 2 8 57.14 3.34 1.6119 3 3 2 57.44 3.97 1.6044 2 3 6 57.44 4.54 1.6044 3 2 6 58.31 2.59 1.5824 3 0 8 58.70 5.96 1.5727 1 4 4 58.70 6.09 1.5727 4 1 4 59.38 5.09 1.5564 2 4 0 59.38 5.18 1.5564 4 2 0 59.66 4.94 1.5499 2 0 10 59.95 7.75 1.5430 3 1 8 59.95 8.71 1.5430 1 3 8 60.43 3.23 1.5318 4 2 2 60.43 3.11 1.5318 2 4 2 63.89 2.05 1.4571 1 4 6 63.89 1.98 1.4571 4 1 6 64.71 1.42 1.4405 3 2 8 64.71 1.47 1.4405 2 3 8 65.98 3.06 1.4158 2 2 10 66.16 3.25 1.4125 1 0 12 67.68 2.49 1.3843 1 1 12 68.24 1.17 1.3744 5 0 2 68.24 1.05 1.3744 3 4 2 68.24 1.08 1.3744 4 3 2 68.77 1.81 1.3651 5 1 0 68.77 1.52 1.3651 1 5 0 69.02 5.00 1.3607 3 1 10 69.02 4.59 1.3607 1 3 10 69.29 3.23 1.3560 4 0 8 69.74 1.04 1.3484 5 1 2 69.74 1.33 1.3484 1 5 2 70.69 1.37 1.3326 2 0 12 71.14 3.51 1.3252 4 3 4 71.14 3.50 1.3252 3 4 4 71.14 2.59 1.3252 5 0 4 72.18 1.42 1.3088 1 2 12 72.18 1.23 1.3088 2 1 12 72.27 4.87 1.3073 3 3 8 75.20 2.02 1.2635 2 4 8 75.20 2.06 1.2635 4 2 8 75.89 1.68 1.2538 3 4 6 75.89 1.70 1.2538 4 3 6 75.89 1.74 1.2538 5 0 6 76.99 2.13 1.2385 2 5 4 76.99 2.24 1.2385 5 2 4 77.59 2.02 1.2305 4 4 0 77.83 1.70 1.2272 4 0 10 78.00 2.17 1.2250 3 0 12 78.52 1.71 1.2182 4 4 2 78.58 1.60 1.2174 1 0 14 79.43 2.04 1.2065 1 3 12 79.43 1.90 1.2065 3 1 12 80.45 1.17 1.1937 5 3 0 80.45 1.21 1.1937 3 5 0 80.69 3.29 1.1908 3 3 10 81.62 1.17 1.1796 5 2 6 81.62 1.25 1.1796 2 5 6 83.29 1.81 1.1601 6 0 0 83.53 1.24 1.1574 2 4 10 83.53 1.27 1.1574 4 2 10 83.69 1.27 1.1555 3 2 12 83.69 1.38 1.1555 2 3 12 83.79 1.95 1.1545 1 5 8 83.79 2.24 1.1545 5 1 8 84.21 1.90 1.1498 6 0 2 84.27 1.35 1.1491 2 1 14 84.27 1.24 1.1491 1 2 14 88.35 1.77 1.1063 1 6 4 88.35 2.09 1.1063 6 1 4 88.93 1.66 1.1006 2 6 0 88.93 1.58 1.1006 6 2 0 89.33 1.12 1.0967 4 1 12 89.33 1.08 1.0967 1 4 12 89.84 1.42 1.0918 2 6 2 89.84 1.50 1.0918 6 2 2 89.90 1.50 1.0912 3 0 14 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.