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Title: Materials Data on Er7(NiTe)2 by Materials Project

Abstract

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.more » In the second Te site, Te is bonded in a 7-coordinate geometry to seven Er atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29914
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er7(NiTe)2; Er-Ni-Te
OSTI Identifier:
1204343
DOI:
https://doi.org/10.17188/1204343

Citation Formats

The Materials Project. Materials Data on Er7(NiTe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204343.
The Materials Project. Materials Data on Er7(NiTe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204343
The Materials Project. 2020. "Materials Data on Er7(NiTe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204343. https://www.osti.gov/servlets/purl/1204343. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204343,
title = {Materials Data on Er7(NiTe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1204343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}