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

Journal Article · Wed Feb 15 00:00:00 EST 2012 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2011.11.053· OSTI ID:21612898

Pilz, Thomas; Nuss, Hanne ^[1]; Jansen, Martin ^[1]

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1. Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany)

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 rings run along the b axis. Black-Right-Pointing-Pointer Acentric space group meets the requirement for second harmonic generation.

• OSTI ID: 21612898
• Journal Information: Journal of Solid State Chemistry, Vol. 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); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

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