LiB₆O₉F, the First Lithium Fluorooxoborate – Crystal Structure and Ionic Conductivity

Abstract

The first lithium fluorooxoborate LiB 6 O 9 F was synthesized from LiF and B 2 O 3 in an all-solid state reaction at 673 K. Single crystals have been grown by subsequent long-term annealing at 473 K. According to X-ray analysis of the crystal structure [Pna2 1 , Z ϭ 4, a ϭ 7.6555 (1) Å , b ϭ 8.5318(1) Å , c ϭ 10.7894(2) Å , R 1 ϭ 0.0184, wR(all) ϭ 0.0487, 853 independent reflections], the fluorooxoborate anion forms a two-dimensional infinite network with boroxine rings, connected by bridging oxygen atoms constitut-* Prof. Dr. M. Jansen Fax: ϩ49-711-689-1502 E-Mail: M.Jansen@fkf.mpg.de [a]

Synthesis and Crystal Structure of a New C602– Fulleride: [K(DB24C8)(DME)]2C60·DME

“…The intensity data of the single crystal were collected with a Smart APEX II diffractometer (Bruker AXS, Karlsruhe, Germany) with Mo-K α radiation (0.71073 Å) at 100 K. [15] Data reduction was carried out with the Bruker Suite software package, [16] absorption correction was applied using SADABS. [17] The systematic extinctions observed (hkl: h + k = 2n; and h0l: h, l = 2n) make the two space groups Cc (no.…”

Full differentiation and assignment of boron species in the electrolytes Li2B6O9F2 and Li2B3O4F3 by solid-state 11B NMR spectroscopy

“…All of them have acentric structures and show non-linear optical properties, LiB 6 O 9 F with an efficiency comparable to KDP [4]. The bulk ionic conductivity of LiB 6 O 9 F is 6:6 Â 10 À9 S cm À1 at 673 K, classifying it as a solid electrolyte, but is much lower at room temperature [1]. To improve conductivity, the compounds Li 2 B 3 O 4 F 3 [2] and Li 2 B 6 O 9 F 2 [3] with higher stoichiometric lithium content were synthesised.…”

“…Thus, the negative effective charges at the terminal oxygen or fluorine atoms will be reduced, enhancing lithium ion mobility. This approach entails the synthesis of an entirely new class of compounds, namely crystalline lithium fluorooxoborates, which was realised in our group using acid-base reactions in the solid state [1][2][3]. Three new lithium fluorooxoborates were discovered, namely LiB 6 O 9 F [1], Li 2 B 3 O 4 F 3 [2] and Li 2 B 6 O 9 F 2 [3].…”

Sr5Os3O13: a mixed valence osmium(v,vi) layered perovskite variant exhibiting temperature dependent charge distribution

“…Diffraction data were collected at 295, 200, 100 and 50 K using a Bruker SMART APEX-II CCD X-ray diffractometer (Bruker AXS, Karlsruhe, Germany), equipped with an N-Helix lowtemperature device (Oxford Cryosystems, United Kingdom). 15 The high temperature measurement at 500 K was performed on another crystal using a SMART APEX-I diffractometer (Bruker AXS, Karlsruhe, Germany) with a Cryostream700…”