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DOE OSTI2020

Materials Data on ErCd2Cu by Materials Project

ErCuCd2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Cu and eight equivalent Cd atoms. There are two shorter (2.99 Å) and two longer (3.50 Å) Er–Cu bond lengths. There are a spread of Er–Cd bond distances ranging from 3.11–3.21 Å. Cu is bonded in a 12-coordinate geometry to four equivalent Er and eight equivalent Cd atoms. There are a spread of Cu–Cd bond distances ranging from 2.87–3.24 Å. Cd is bonded in a 11-coordinate geometry to four equivalent Er, four equivalent Cu, and three equivalent Cd atoms. There are one shorter (2.90 Å) and two longer (3.06 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCdCu4 by Materials Project

ErCu4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Cd atoms. All Er–Cu bond lengths are 2.98 Å. All Er–Cd bond lengths are 3.11 Å. Cu is bonded to three equivalent Er, six equivalent Cu, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing CuEr3Cd3Cu6 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.55 Å) Cu–Cu bond lengths. All Cu–Cd bond lengths are 2.98 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2CdCu2 by Materials Project

Er2Cu2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are two shorter (2.85 Å) and four longer (2.91 Å) Er–Cu bond lengths. All Er–Cd bond lengths are 3.32 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Er, one Cu, and two equivalent Cd atoms. The Cu–Cu bond length is 2.50 Å. Both Cu–Cd bond lengths are 3.03 Å. Cd is bonded to eight equivalent Er and four equivalent Cu atoms to form a mixture of face and corner-sharing CdEr8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗