Materials Data on Er7(TeAu)2 by Materials Project

Abstract

Er7Au2Te2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are eight inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to two equivalent Au and three Te atoms. Both Er–Au bond lengths are 2.93 Å. There are one shorter (3.06 Å) and two longer (3.17 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 5-coordinate geometry to three equivalent Au and two equivalent Te atoms. There are two shorter (3.00 Å) and one longer (3.60 Å) Er–Au bond lengths. Both Er–Te bond lengths are 3.23 Å. In the third Er site, Er is bonded in a 2-coordinate geometry to three Au and one Te atom. There are two shorter (2.90 Å) and one longer (3.49 Å) Er–Au bond lengths. The Er–Te bond length is 3.10 Å. In the fourth Er site, Er is bonded in a 4-coordinate geometry to three equivalent Au and two equivalent Te atoms. There are two shorter (2.97 Å) and one longer (3.71 Å) Er–Au bond lengths. Both Er–Te bond lengths are 3.18 Å. In the fifth Er site, Er is bonded in a 4-coordinate geometry to two equivalent Au and two equivalent Te atoms. Both Er–Au bond lengths are 2.99 Å. Both Er–Te bond lengths are 3.18 Å. In the sixth Er site, Er is bonded in a 5-coordinate geometry to two equivalent Au and three Te atoms. Both Er–Au bond lengths are 2.92 Å. There are one shorter (3.06 Å) and two longer (3.24 Å) Er–Te bond lengths. In the seventh Er site, Er is bonded in a square co-planar geometry to two equivalent Au and two equivalent Te atoms. Both Er–Au bond lengths are 3.07 Å. Both Er–Te bond lengths are 3.19 Å. In the eighth Er site, Er is bonded in a square co-planar geometry to two equivalent Au and two equivalent Te atoms. Both Er–Au bond lengths are 3.20 Å. Both Er–Te bond lengths are 3.07 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to nine Er atoms. In the second Au site, Au is bonded in a 7-coordinate geometry to eight Er atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Er atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Er atoms.