KCuTa3O9 Groult D, Hervieu M, Raveau B Journal of Solid State Chemistry 53 (1984) 184-192 A Pentagonal Tunnel Structure with Copper in Square Planar Coordination: The Oxides KCuNb3O9 and KCuTa3O9 _cod_database_code 1001197 _database_code_amcsd 0013527 CELL PARAMETERS: 8.8620 10.1870 7.6380 90.000 90.000 90.000 SPACE GROUP: Pnc2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 689.537 Density (g/cm3): 7.604 MAX. ABS. INTENSITY / VOLUME**2: 88.08543691 RIR: 3.772 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.98 28.15 8.8620 1 0 0 2 13.24 4.61 6.6861 1 1 0 4 17.41 15.11 5.0935 0 2 0 2 20.04 6.61 4.4310 2 0 0 2 20.11 27.56 4.4161 1 2 0 4 21.87 47.25 4.0633 2 1 0 4 23.29 100.00 3.8190 0 0 2 1 26.67 50.79 3.3430 2 2 0 4 26.89 6.92 3.3162 1 1 2 4 28.14 97.61 3.1709 1 3 0 4 29.23 1.54 3.0555 0 2 2 2 30.26 38.57 2.9540 3 0 0 2 30.91 25.98 2.8928 2 0 2 2 30.96 99.63 2.8886 1 2 2 4 31.53 28.34 2.8371 3 1 0 4 32.17 45.36 2.7828 2 1 2 4 33.24 1.31 2.6952 2 3 0 4 35.12 14.00 2.5554 3 2 0 4 35.24 10.31 2.5468 0 4 0 2 35.69 64.47 2.5154 2 2 2 4 36.72 5.93 2.4477 1 4 0 4 36.84 56.28 2.4396 1 3 2 4 38.53 15.42 2.3366 3 0 2 2 39.57 10.35 2.2774 3 1 2 4 40.73 1.94 2.2155 4 0 0 2 40.87 10.34 2.2080 2 4 0 4 42.57 1.75 2.1238 3 2 2 4 43.94 1.61 2.0607 1 4 2 4 44.60 9.67 2.0316 4 2 0 4 45.69 9.16 1.9856 1 5 0 4 47.12 1.11 1.9289 3 4 0 4 47.62 32.60 1.9095 0 0 4 1 49.10 28.29 1.8555 4 3 0 4 49.22 11.58 1.8511 2 5 0 4 51.08 1.64 1.7880 0 2 4 2 51.57 7.56 1.7724 5 0 0 2 51.90 11.41 1.7617 1 5 2 4 52.16 1.40 1.7536 2 0 4 2 52.19 4.32 1.7527 1 2 4 4 52.40 3.12 1.7462 5 1 0 4 52.99 8.10 1.7282 2 1 4 4 54.01 7.53 1.6978 0 6 0 2 54.73 13.32 1.6772 3 5 0 4 54.84 1.04 1.6739 5 2 0 4 55.02 43.59 1.6689 4 3 2 4 55.14 22.81 1.6657 2 5 2 4 55.41 10.62 1.6581 2 2 4 4 56.24 24.48 1.6358 1 3 4 4 57.31 21.18 1.6077 5 0 2 2 57.47 10.40 1.6036 3 0 4 2 58.08 2.25 1.5880 5 1 2 4 58.19 1.96 1.5854 2 6 0 4 58.24 9.81 1.5841 3 1 4 4 58.77 1.48 1.5712 5 3 0 4 59.59 13.79 1.5514 0 6 2 2 60.27 12.06 1.5356 3 5 2 4 60.38 5.42 1.5331 5 2 2 4 60.46 1.42 1.5313 4 4 2 4 60.53 5.01 1.5296 3 2 4 4 60.59 4.85 1.5282 1 6 2 4 60.61 4.54 1.5278 0 4 4 2 61.60 3.22 1.5056 1 4 4 4 61.87 1.32 1.4997 4 5 0 4 63.16 2.19 1.4720 3 6 0 4 63.66 1.66 1.4617 6 1 0 4 64.08 1.37 1.4531 5 3 2 4 64.52 4.07 1.4443 2 4 4 4 64.94 2.09 1.4361 1 7 0 4 65.84 5.16 1.4186 6 2 0 4 67.29 4.01 1.3914 4 2 4 4 68.13 4.74 1.3763 1 5 4 4 68.29 7.58 1.3735 3 6 2 4 68.77 3.00 1.3651 6 1 2 4 69.09 3.00 1.3595 5 4 2 4 69.39 2.04 1.3544 6 3 0 4 69.99 2.41 1.3442 1 7 2 4 70.81 14.27 1.3307 4 3 4 4 70.86 1.24 1.3298 6 2 2 4 70.91 6.14 1.3291 2 5 4 4 72.80 4.36 1.2990 5 0 4 2 73.49 1.77 1.2886 5 1 4 4 74.30 3.16 1.2765 6 3 2 4 74.54 2.36 1.2730 0 0 6 1 74.83 4.12 1.2688 0 6 4 2 75.30 1.07 1.2621 5 5 2 4 75.42 2.33 1.2604 1 8 0 4 75.44 7.89 1.2601 3 5 4 4 77.73 3.71 1.2286 7 2 0 4 77.92 3.42 1.2261 5 6 0 4 78.09 5.54 1.2238 2 8 0 4 78.11 1.22 1.2235 2 0 6 2 78.14 4.74 1.2232 1 2 6 4 78.40 1.15 1.2198 2 6 4 4 78.66 1.13 1.2163 4 7 0 4 78.78 2.53 1.2148 2 1 6 4 78.90 1.09 1.2133 5 3 4 4 80.19 2.20 1.1969 1 8 2 4 80.28 2.86 1.1958 6 5 0 4 80.78 4.33 1.1897 2 2 6 4 81.47 4.82 1.1814 1 3 6 4 81.63 1.21 1.1794 4 5 4 4 82.47 4.26 1.1696 7 2 2 4 82.51 1.31 1.1691 3 0 6 2 82.66 3.45 1.1674 5 6 2 4 82.79 1.70 1.1658 3 6 4 4 82.82 3.83 1.1655 2 8 2 4 83.17 1.52 1.1614 3 1 6 4 83.24 1.34 1.1607 6 1 4 4 83.39 3.93 1.1590 4 7 2 4 84.40 1.55 1.1477 1 7 4 4 84.99 5.16 1.1412 6 5 2 4 85.22 4.27 1.1387 6 2 4 4 85.77 1.85 1.1328 7 3 2 4 87.18 3.29 1.1181 3 8 2 4 88.20 1.15 1.1078 8 0 0 2 88.51 1.83 1.1047 6 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.