Metatorbernite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140872 Ross M, Evans H T, Appleman D E American Mineralogist 49 (1964) 1603-1621 Studies of the torbernite minerals (II): The crystal structure of meta-torbernite _database_code_amcsd 0000133 CELL PARAMETERS: 6.9460 6.9460 17.2580 90.000 90.000 90.000 SPACE GROUP: P4/n ATOM X Y Z OCCUPANCY ISO(B) P 0.25000 0.75000 0.00000 1.000 0.100 P 0.25000 0.75000 0.50000 1.000 0.100 Cu 0.25000 0.25000 0.80990 1.000 1.100 U 0.25000 0.25000 0.05100 1.000 0.760 U 0.25000 0.25000 0.55240 1.000 0.630 O 0.25000 0.25000 0.15640 1.000 1.600 O 0.25000 0.25000 0.65630 1.000 1.200 O 0.25000 0.25000 0.94880 1.000 0.700 O 0.25000 0.25000 0.44030 1.000 1.500 O 0.78340 0.08020 0.44660 1.000 1.600 O 0.70380 0.08180 0.94860 1.000 0.400 Wa 0.34760 0.98140 0.31050 1.000 2.700 Wa 0.22250 0.97680 0.80950 1.000 2.600 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: 897.4817221 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.12 2.46 17.2580 0 0 1 10.25 100.00 8.6290 0 0 2 15.40 1.02 5.7527 0 0 3 16.38 1.06 5.4108 1 0 2 20.59 3.94 4.3145 0 0 4 25.65 77.76 3.4730 2 0 0 27.69 43.92 3.2218 2 0 2 30.06 1.01 2.9732 2 0 3 33.11 4.09 2.7054 2 0 4 36.59 25.95 2.4558 2 2 0 36.71 1.13 2.4482 2 0 5 38.10 18.33 2.3620 2 2 2 41.88 7.17 2.1572 0 0 8 42.35 1.90 2.1343 2 2 4 49.76 12.72 1.8325 2 0 8 52.71 10.16 1.7365 4 0 0 53.06 2.26 1.7258 0 0 10 53.85 5.95 1.7024 4 0 2 56.80 7.23 1.6207 2 2 8 59.52 6.54 1.5532 2 4 0 59.52 6.36 1.5532 4 2 0 59.84 6.41 1.5455 2 0 10 60.57 4.08 1.5286 2 4 2 60.57 4.03 1.5286 4 2 2 66.18 4.53 1.4120 2 2 10 69.49 4.52 1.3527 4 0 8 70.93 2.00 1.3287 2 0 12 75.41 3.36 1.2605 2 4 8 75.41 3.26 1.2605 4 2 8 76.81 1.46 1.2410 2 2 12 77.78 2.66 1.2279 4 4 0 78.07 2.57 1.2241 4 0 10 78.72 1.96 1.2156 4 4 2 83.51 2.23 1.1577 6 0 0 83.79 2.12 1.1545 2 4 10 83.79 2.08 1.1545 4 2 10 84.43 1.83 1.1474 6 0 2 88.22 1.11 1.1076 4 0 12 89.17 1.92 1.0983 2 6 0 89.17 1.95 1.0983 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.