Materials Data on Pr7Si5Ni2 by Materials Project

Abstract

Pr7Ni2Si5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are seven inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 3.03 Å. There are a spread of Pr–Si bond distances ranging from 3.06–3.46 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to two equivalent Ni and six Si atoms. Both Pr–Ni bond lengths are 3.09 Å. There are a spread of Pr–Si bond distances ranging from 3.12–3.15 Å. In the third Pr site, Pr is bonded in a 8-coordinate geometry to two equivalent Ni and six Si atoms. Both Pr–Ni bond lengths are 3.15 Å. There are a spread of Pr–Si bond distances ranging from 3.11–3.19 Å. In the fourth Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 3.03 Å. There are a spread of Pr–Si bond distances ranging from 3.11–3.32 Å. In the fifth Pr site, Pr is bonded in a 6-coordinate geometry to one Ni and five Si atoms. The Pr–Ni bond length is 2.98 Å. There are three shorter (3.15 Å) and two longer (3.16 Å) Pr–Si bond lengths. In the sixth Pr site, Pr is bonded in a 6-coordinate geometry to one Ni and five Si atoms. The Pr–Ni bond length is 2.96 Å. There are a spread of Pr–Si bond distances ranging from 3.12–3.42 Å. In the seventh Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 2.93 Å. There are a spread of Pr–Si bond distances ranging from 3.15–3.26 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are one shorter (2.42 Å) and two longer (2.52 Å) Ni–Si bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are a spread of Ni–Si bond distances ranging from 2.40–2.53 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Pr, one Ni, and one Si atom. The Si–Si bond length is 2.50 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Pr, one Ni, and one Si atom. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Pr and one Ni atom. In the fourth Si site, Si is bonded in a 9-coordinate geometry to eight Pr and one Ni atom. In the fifth Si site, Si is bonded in a 9-coordinate geometry to seven Pr and two equivalent Ni atoms.