title: Synthesis and crystal structure of sodium borosilicide, Na8B74.5Si17.5.
abstract: Ternary sodium borosilicide, Na(8)B(74.5)Si(17.5), was newly synthesized by heating a mixture of sodium, silicon and amorphous or crystalline boron at 1073-1273 K. The crystal structure of the black hexagonal prismatic single crystal obtained at 1273 K was analyzed. The X-ray diffraction reflections of the crystal were indexed with hexagonal cell parameters a = 10.2392(3) Å and c = 10.9215(4) Å (space group P6(3)/mmc, No. 194). The structural formula could be represented as Na(8)(B(12))(6)Si(16)[BSi](1.5)[B(2)](0.5). B(12) icosahedra form a three-dimensional framework having small triangular and large hexagonal channels along the c axis. Chains of [-Si-(Si-Si)(3)-Si-] surrounded by Na atoms are located in the large channels. Trigonal prism cages for Na atoms and for atom pairs of Si-B or B-B are alternately arrayed in the small channels. The ratio of Si-B and B-B pairs in the cage is around 3:1.
authors.affiliation: Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan. morito@tagen.tohoku.ac.jp
authors.forename: Haruhiko
authors.initials: H
authors.lastname: Morito
authors.forename: Bernhard
authors.initials: B
authors.lastname: Eck
authors.forename: Richard
authors.initials: R
authors.lastname: Dronskowski
authors.forename: Hisanori
authors.initials: H
authors.lastname: Yamane