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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErTe by Materials Project

ErTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Te bond lengths are 3.05 Å. Te is bonded to six equivalent Er atoms to form a mixture of edge and corner-sharing TeEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Te3 by Materials Project

Er2Te3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (3.05 Å) and four longer (3.06 Å) Er–Te bond lengths. In the second Er3+ site, Er3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (3.06 Å) and two longer (3.08 Å) Er–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTe3 by Materials Project

ErTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of four ErTe3 sheets oriented in the (0, 1, 0) direction. Er3+ is bonded to five Te1- atoms to form a mixture of distorted edge and corner-sharing ErTe5 square pyramids. There are four shorter (3.01 Å) and one longer (3.17 Å) Er–Te bond lengths. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 4-coordinate geometry to four equivalent Te1- atoms. All Te–Te bond lengths are 3.08 Å. In the second Te1- site, Te1- is bonded in a distorted square co-planar geometry to four equivalent Er3+ atoms. In the third Te1- site, Te1- is bonded in a distorted single-bond geometry to one Er3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTe2 by Materials Project

ErTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are one shorter (3.15 Å) and eight longer (3.26 Å) Er–Te bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to five equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing TeEr5 trigonal bipyramids. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.13 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTe3 by Materials Project

ErTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two ErTe3 sheets oriented in the (0, 1, 0) direction. Er3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Er–Te bond distances ranging from 3.20–3.28 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to five equivalent Er3+ atoms. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗