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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er7(NiTe)2 by Materials Project

Er7(NiTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.17 Å) and one longer (3.21 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to three equivalent Ni and one Te atom. There are two shorter (2.77 Å) and one longer (3.16 Å) Er–Ni bond lengths. The Er–Te bond length is 3.17 Å. In the third Er site, Er is bonded in a distorted square co-planar geometry to two equivalent Ni and two equivalent Te atoms. Both Er–Ni bond lengths are 2.81 Å. Both Er–Te bond lengths are 3.14 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to two equivalent Ni and three Te atoms. Both Er–Ni bond lengths are 2.77 Å. There are one shorter (3.11 Å) and two longer (3.17 Å) Er–Te bond lengths. Ni is bonded in a 7-coordinate geometry to seven Er atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Er atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5(NiTe)2 by Materials Project

Er5Ni2Te2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to three Ni and four equivalent Te atoms. There are two shorter (2.79 Å) and one longer (2.86 Å) Er–Ni bond lengths. There are two shorter (3.31 Å) and two longer (3.35 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to three Ni and three equivalent Te atoms. There are two shorter (2.79 Å) and one longer (2.91 Å) Er–Ni bond lengths. There are one shorter (3.12 Å) and two longer (3.21 Å) Er–Te bond lengths. In the third Er site, Er is bonded in a square co-planar geometry to two Ni and two equivalent Te atoms. There are one shorter (2.87 Å) and one longer (3.08 Å) Er–Ni bond lengths. Both Er–Te bond lengths are 3.13 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms. Te is bonded in a 8-coordinate geometry to eight Er atoms.

36 MATERIALS SCIENCE↗