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Preparation and Crystal Structure of Na4TiSe4. A Selenotitanate with Discrete Tetrahedral Anions

  • Kurt O. Klepp EMAIL logo
Published/Copyright: June 2, 2014
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Red crystals of Na4TiSe4 were obtained by reacting an intimate mixture of Na2Se, Ti and Se at 750°C. Na4TiSe4 is monoclinic, space group I2/a with a = 24.027(6), b = 7.346(4), c = 21.572(6) Å, (β = 104.52(2)°, Z = 16. Its crystal structure was determined from diffractometer data (AgK α-radiation) and refined to a conventional R of 0.036 for 2673 F0′s and 158 variables. The crystal structure is of a new type, characterized by the presence of discrete tetrahedral complex anions, [TiSe4]4- , which are arranged in slabs parallel to (100). The average Ti-Se bond length is 2.385(1) Å. The Na+ cations are in different chalcogen environments with distorted octahedral, square pyramidal or planar configurations, respectively

Received: 1999-9-28
Published Online: 2014-6-2
Published in Print: 2000-1-1

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