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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErIn3 by Materials Project

ErIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent In atoms to form ErIn12 cuboctahedra that share corners with twelve equivalent ErIn12 cuboctahedra, edges with twenty-four equivalent InEr4In8 cuboctahedra, faces with six equivalent ErIn12 cuboctahedra, and faces with twelve equivalent InEr4In8 cuboctahedra. All Er–In bond lengths are 3.28 Å. In is bonded to four equivalent Er and eight equivalent In atoms to form distorted InEr4In8 cuboctahedra that share corners with twelve equivalent InEr4In8 cuboctahedra, edges with eight equivalent ErIn12 cuboctahedra, edges with sixteen equivalent InEr4In8 cuboctahedra, faces with four equivalent ErIn12 cuboctahedra, and faces with fourteen equivalent InEr4In8 cuboctahedra. All In–In bond lengths are 3.28 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2In by Materials Project

Er2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six equivalent Er and five equivalent In atoms to form a mixture of distorted corner and face-sharing ErEr6In5 trigonal bipyramids. All Er–Er bond lengths are 3.51 Å. There are three shorter (3.09 Å) and two longer (3.34 Å) Er–In bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to eight Er and six equivalent In atoms. Both Er–Er bond lengths are 3.34 Å. All Er–In bond lengths are 3.51 Å. In is bonded in a 11-coordinate geometry to eleven Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3In by Materials Project

Er3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent In atoms to form distorted ErEr8In4 cuboctahedra that share corners with four equivalent InEr12 cuboctahedra, corners with fourteen equivalent ErEr8In4 cuboctahedra, edges with six equivalent InEr12 cuboctahedra, edges with twelve equivalent ErEr8In4 cuboctahedra, faces with four equivalent InEr12 cuboctahedra, and faces with sixteen equivalent ErEr8In4 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.36–3.50 Å. There are two shorter (3.36 Å) and two longer (3.43 Å) Er–In bond lengths. In is bonded to twelve equivalent Er atoms to form InEr12 cuboctahedra that share corners with six equivalent InEr12 cuboctahedra, corners with twelve equivalent ErEr8In4 cuboctahedra, edges with eighteen equivalent ErEr8In4 cuboctahedra, faces with eight equivalent InEr12 cuboctahedra, and faces with twelve equivalent ErEr8In4 cuboctahedra.

36 MATERIALS SCIENCE↗