Materials Data on DySiNi4 by Materials Project
DyNi4Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Si atoms. There are a spread of Dy–Ni bond distances ranging from 2.80–3.11 Å. All Dy–Si bond lengths are 3.21 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy, five Ni, and two equivalent Si atoms. There are four shorter (2.46 Å) and one longer (2.57 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.35 Å. In the second Ni site, Ni is bonded to four equivalent Dy, six Ni, and two equivalent Si atoms to form NiDy4Si2Ni6 cuboctahedra that share corners with four equivalent SiDy4Ni8 cuboctahedra, corners with twelve equivalent NiDy4Si2Ni6 cuboctahedra, edges with four equivalent SiDy4Ni8 cuboctahedra, edges with six equivalent NiDy4Si2Ni6 cuboctahedra, faces with four equivalent SiDy4Ni8 cuboctahedra, and faces with six equivalent NiDy4Si2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.54 Å. Both Ni–Si bond lengths are 2.41 Å. Si is bonded to four equivalent Dy and eight Ni atoms to form distorted SiDy4Ni8 cuboctahedra that share corners with eight equivalent NiDy4Si2Ni6 cuboctahedra, corners with eight equivalent SiDy4Ni8 cuboctahedra, edges with two equivalent SiDy4Ni8 cuboctahedra, edges with eight equivalent NiDy4Si2Ni6 cuboctahedra, faces with two equivalent SiDy4Ni8 cuboctahedra, and faces with eight equivalent NiDy4Si2Ni6 cuboctahedra.