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Title: Materials Data on Lu7(NiTe)2 by Materials Project

Abstract

Lu7(NiTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to three equivalent Ni and one Te atom. There are two shorter (2.74 Å) and one longer (3.12 Å) Lu–Ni bond lengths. The Lu–Te bond length is 3.13 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.15 Å) and one longer (3.19 Å) Lu–Te bond lengths. In the third Lu site, Lu is bonded in a 5-coordinate geometry to two equivalent Ni and three Te atoms. Both Lu–Ni bond lengths are 2.73 Å. There are one shorter (3.07 Å) and two longer (3.14 Å) Lu–Te bond lengths. In the fourth Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni and two equivalent Te atoms. Both Lu–Ni bond lengths are 2.76 Å. Both Lu–Te bond lengths are 3.11 Å. Ni is bonded in a 7-coordinate geometry to seven Lu atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Lu atoms.more » In the second Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-11752
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Lu7(NiTe)2; Lu-Ni-Te
OSTI Identifier:
1188347
DOI:
10.17188/1188347

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Lu7(NiTe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188347.
Persson, Kristin, & Project, Materials. Materials Data on Lu7(NiTe)2 by Materials Project. United States. doi:10.17188/1188347.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Lu7(NiTe)2 by Materials Project". United States. doi:10.17188/1188347. https://www.osti.gov/servlets/purl/1188347. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188347,
title = {Materials Data on Lu7(NiTe)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Lu7(NiTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to three equivalent Ni and one Te atom. There are two shorter (2.74 Å) and one longer (3.12 Å) Lu–Ni bond lengths. The Lu–Te bond length is 3.13 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.15 Å) and one longer (3.19 Å) Lu–Te bond lengths. In the third Lu site, Lu is bonded in a 5-coordinate geometry to two equivalent Ni and three Te atoms. Both Lu–Ni bond lengths are 2.73 Å. There are one shorter (3.07 Å) and two longer (3.14 Å) Lu–Te bond lengths. In the fourth Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni and two equivalent Te atoms. Both Lu–Ni bond lengths are 2.76 Å. Both Lu–Te bond lengths are 3.11 Å. Ni is bonded in a 7-coordinate geometry to seven Lu atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Lu atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms.},
doi = {10.17188/1188347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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