Materials Data on LaCo8Si5 by Materials Project

Abstract

LaCo8Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Si+2.40- atoms. All La–Si bond lengths are 3.20 Å. There are two inequivalent Co+1.12+ sites. In the first Co+1.12+ site, Co+1.12+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.30–2.47 Å. In the second Co+1.12+ site, Co+1.12+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.50 Å. There are two inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to two equivalent La3+, eight Co+1.12+, and one Si+2.40- atom. The Si–Si bond length is 2.47 Å. In the second Si+2.40- site, Si+2.40- is bonded in a cuboctahedral geometry to eight Co+1.12+ and four equivalent Si+2.40- atoms.