Neutron and X-ray diffraction study on polymorphism in lithium orthotantalate,Li3TaO4 |
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Authors: | M Zocchi M Gatti A Santoro RS Roth |
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Institution: | Dipartimento di Chimica Industriale ed Ingegneria Chimica del Politecnico, Piazza Leonardo da Vinci 32, 20133 Milan, Italy;National Measurement Laboratory, National Bureau of Standards, Washington, D.C. 20234 USA |
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Abstract: | The structures of the low-and high-temperature modifications of lithium orthotantalate, Li3TaO4, have been determined by neutron and X-ray diffraction methods. The low-temperature, or β, phase has symmetry and lattice parameters a1 = 8.500(3), b1 = 8.500(3), c1 = 9.344(3)Å, and β = 117.05(2)°. The high-temperature, or α, phase has symmetry P2 and lattice parameters ah = 6.018(1), bh = 5.995(1), ch = 12.865(2)Å, and βh = 103.53(2)°. Both structures are ordered. The β-phase has a rock salt-type structure with a 3 : 1 ordering of the Li+ and Ta5+ ions. Its structure can be generated from the low-temperature modification by means of a complex pattern of shifts of the Ta5+ ions. |
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