Structure determination of SnZrS3

Abstract

The structure of tin zirconium trisulfide is of the NH4CdCl3 type with double columns of edge-sharing Zr octahedra. These columns are linked together by Sn atoms. Sn is coordinated to three S atoms at 2 x 2.619 (2) and 2.765 (2) angstrom; a fourth S atom is at 3.065 (2) angstrom. The zirconium coordination is approximately octahedral with six S atoms at 2.524 (2), 2 x 2.545 (2), 2.582 (2) and 2 x 2.592 (2) angstrom. Powder diffraction data were also collected; the JCPDS rue No. for tin zirconium sulfide is 44-1494.