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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErIn5Co by Materials Project

ErCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to twelve In atoms to form ErIn12 cuboctahedra that share corners with four equivalent ErIn12 cuboctahedra, faces with four equivalent ErIn12 cuboctahedra, and faces with four equivalent InEr4In8 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.25 Å) Er–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.71 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Er and eight equivalent In atoms to form distorted InEr4In8 cuboctahedra that share corners with four equivalent InEr4In8 cuboctahedra, faces with four equivalent ErIn12 cuboctahedra, and faces with four equivalent InEr4In8 cuboctahedra. All In–In bond lengths are 3.25 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Co, and seven In atoms. There are one shorter (2.92 Å) and four longer (3.24 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(In2Co)2 by Materials Project

Er3(CoIn2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to three Co and seven In atoms. There are two shorter (2.70 Å) and one longer (3.06 Å) Er–Co bond lengths. There are a spread of Er–In bond distances ranging from 3.02–3.44 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six equivalent Er and three equivalent In atoms. All Co–In bond lengths are 3.18 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Co–In bond lengths are 2.80 Å. There are two inequivalent In sites. In the first In site, In is bonded in a trigonal planar geometry to three equivalent Er and six equivalent In atoms. All In–In bond lengths are 3.28 Å. In the second In site, In is bonded in a 11-coordinate geometry to six equivalent Er, three Co, and two equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInCo4 by Materials Project

ErCo4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent In atoms. All Er–Co bond lengths are 2.91 Å. All Er–In bond lengths are 3.04 Å. Co is bonded to three equivalent Er, six equivalent Co, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CoEr3In3Co6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.49 Å) Co–Co bond lengths. All Co–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Co atoms.

36 MATERIALS SCIENCE↗