Crystal structure of a new lithium indium borate Li3InB2O6

Single crystals of synthetic Li3InB2O6 were obtained by heating a mixture o f Li2CO3, In2O3 and B2O3; its formula was determined by the resolution of t he structure from X-ray diffraction data. The compound is monoclinic, space ,group P2(1)/n; the unit cell parameters are a = 5.168(5) Angstrom, b = 8.8 99(9) Angstrom, c = 10.099(10) Angstrom, beta = 91.112(17)degrees; Z = 4. T he crystal structure was solved from 669 reflections until R = 0.0249; it e xhibits a three-dimensional framework of vertex-sharing InO5 trigonal bipyr amids and BO3 triangles, which isolates Li ions in channels. This structure is characterized by unusual oxygenated environments of In cations and of o ne of the three Li cations, which are forming more or less regular trigonal bipyramids. This compound melts incongruently at 827 degreesC; the powder may be obtained by annealing at 750 degreesC a mixture of Li2CO3, In2O3 and B2O3. (C) 2001 Editions scientifiques et medicales Elsevier SAS. All right s reserved.