Materials Data on Ce(Re2Si)2 by Materials Project

Abstract

Ce(Re2Si)2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Re and eight equivalent Si atoms. There are four shorter (3.31 Å) and four longer (3.43 Å) Ce–Re bond lengths. All Ce–Si bond lengths are 3.16 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to two equivalent Ce, eight Re, and two equivalent Si atoms. There are a spread of Re–Re bond distances ranging from 2.64–2.91 Å. Both Re–Si bond lengths are 2.50 Å. In the second Re site, Re is bonded to two equivalent Ce, eight Re, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing ReCe2Re8Si2 cuboctahedra. Both Re–Re bond lengths are 2.59 Å. Both Re–Si bond lengths are 2.54 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four Re, and one Si atom. The Si–Si bond length is 2.44 Å.