Materials Data on LaSiPd by Materials Project
LaPdSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded in a 4-coordinate geometry to five Si4- atoms. There are a spread of La–Si bond distances ranging from 3.10–3.48 Å. In the second La2+ site, La2+ is bonded to seven Si4- atoms to form a mixture of face, edge, and corner-sharing LaSi7 pentagonal bipyramids. There are a spread of La–Si bond distances ranging from 3.20–3.39 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted trigonal planar geometry to three equivalent Si4- atoms. There are a spread of Pd–Si bond distances ranging from 2.47–2.59 Å. In the second Pd2+ site, Pd2+ is bonded in a trigonal planar geometry to three Si4- atoms. There are a spread of Pd–Si bond distances ranging from 2.50–2.60 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 2-coordinate geometry to six La2+, two equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.38 Å. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to six La2+ and four Pd2+ atoms.