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Title: Li{sub 2}B{sub 3}O{sub 4}F{sub 3}, a new lithium-rich fluorooxoborate

The new lithium fluorooxoborate, Li{sub 2}B{sub 3}O{sub 4}F{sub 3}, is obtained by a solid state reaction from LiBO{sub 2} and LiBF{sub 4} at 553 K and crystallizes in the acentric orthorhombic space group P2{sub 1}2{sub 1}2{sub 1} (no. 19) with the cell parameters a=4.8915(9), b=8.734(2), and c=12.301(2) A. Chains of fluorinated boroxine rings along the b axis consists of BO{sub 3} triangles and BO{sub 2}F{sub 2} as well as BO{sub 3}F tetrahedra. Mobile lithium ions are compensating the negative charge of the anionic chain, in which the fourfold coordinated boron atoms bear a negative formal charge. Annealing Li{sub 2}B{sub 3}O{sub 4}F{sub 3} at temperatures above 573 K leads to conversion into Li{sub 2}B{sub 6}O{sub 9}F{sub 2}. The title compound is an ionic conductor with the highest ion conductivity among the hitherto know lithium fluorooxoborates, with conductivities of 1.6 Multiplication-Sign 10{sup -9} and 1.8 Multiplication-Sign 10{sup -8} S cm{sup -1} at 473 and 523 K, respectively. - Graphical abstract: Repetition unit of Li{sub 2}B{sub 3}O{sub 4}F{sub 3}. Highlights: Black-Right-Pointing-Pointer Li{sub 2}B{sub 3}O{sub 4}F{sub 3} is the third member within the family of lithium fluorooxoborates. Black-Right-Pointing-Pointer It shows the highest lithium ion conductivity among them. Black-Right-Pointing-Pointer Chains of interconnected fluorinated boroxine ringsmore » run along the b axis. Black-Right-Pointing-Pointer Acentric space group meets the requirement for second harmonic generation.« less
Authors:
;  [1] ;  [1]
  1. Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany)
Publication Date:
OSTI Identifier:
21612898
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 186; Other Information: DOI: 10.1016/j.jssc.2011.11.053; PII: S0022-4596(11)00660-8; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BORATES; BORON; HARMONIC GENERATION; LITHIUM; LITHIUM IONS; ORTHORHOMBIC LATTICES; SOLIDS; SPACE GROUPS ALKALI METALS; BORON COMPOUNDS; CHARGED PARTICLES; CRYSTAL LATTICES; CRYSTAL STRUCTURE; ELEMENTS; FREQUENCY MIXING; IONS; METALS; OXYGEN COMPOUNDS; SEMIMETALS; SYMMETRY GROUPS