Materials Data on Gd(SiNi5)2 by Materials Project
GdNi10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Gd–Ni bond distances ranging from 2.76–3.09 Å. All Gd–Si bond lengths are 3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Gd, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.91 Å. Both Ni–Si bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one Gd, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.66 Å. Both Ni–Si bond lengths are 2.40 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Gd, eight Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.41 Å. Both Ni–Si bond lengths are 2.56 Å. In the fourth Ni site, Ni is bonded to two equivalent Gd, eight Ni, and two equivalent Si atoms to form NiGd2Si2Ni8 cuboctahedra that share corners with four equivalent SiGd2Ni10 cuboctahedra, corners with ten equivalent NiGd2Si2Ni8 cuboctahedra, edges with two equivalent SiGd2Ni10 cuboctahedra, edges with four equivalent NiGd2Si2Ni8 cuboctahedra, faces with four equivalent SiGd2Ni10 cuboctahedra, and faces with six equivalent NiGd2Si2Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.37 Å. Both Ni–Si bond lengths are 2.31 Å. Si is bonded to two equivalent Gd and ten Ni atoms to form SiGd2Ni10 cuboctahedra that share corners with six equivalent SiGd2Ni10 cuboctahedra, corners with eight equivalent NiGd2Si2Ni8 cuboctahedra, edges with three equivalent SiGd2Ni10 cuboctahedra, edges with four equivalent NiGd2Si2Ni8 cuboctahedra, a faceface with one SiGd2Ni10 cuboctahedra, and faces with eight equivalent NiGd2Si2Ni8 cuboctahedra.