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

Abstract

Ta(NiTe)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ta(NiTe)2 sheets oriented in the (0, 0, 1) direction. Ta is bonded in a 11-coordinate geometry to eight Ni and three Te atoms. There are a spread of Ta–Ni bond distances ranging from 2.71–2.76 Å. There are two shorter (2.90 Å) and one longer (2.95 Å) Ta–Te bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Ta, two equivalent Ni, and three Te atoms. There are one shorter (2.41 Å) and one longer (2.53 Å) Ni–Ni bond lengths. There are one shorter (2.53 Å) and two longer (2.57 Å) Ni–Te bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Ta, two equivalent Ni, and three Te atoms. There are one shorter (2.54 Å) and two longer (2.57 Å) Ni–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to two equivalent Ta and two Ni atoms. In the second Te site, Te is bonded in a 5-coordinate geometry to one Tamore » and four Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28667
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; Ta(NiTe)2; Ni-Ta-Te
OSTI Identifier:
1202746
DOI:
https://doi.org/10.17188/1202746

Citation Formats

The Materials Project. Materials Data on Ta(NiTe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202746.
The Materials Project. Materials Data on Ta(NiTe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202746
The Materials Project. 2020. "Materials Data on Ta(NiTe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202746. https://www.osti.gov/servlets/purl/1202746. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202746,
title = {Materials Data on Ta(NiTe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta(NiTe)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ta(NiTe)2 sheets oriented in the (0, 0, 1) direction. Ta is bonded in a 11-coordinate geometry to eight Ni and three Te atoms. There are a spread of Ta–Ni bond distances ranging from 2.71–2.76 Å. There are two shorter (2.90 Å) and one longer (2.95 Å) Ta–Te bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Ta, two equivalent Ni, and three Te atoms. There are one shorter (2.41 Å) and one longer (2.53 Å) Ni–Ni bond lengths. There are one shorter (2.53 Å) and two longer (2.57 Å) Ni–Te bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Ta, two equivalent Ni, and three Te atoms. There are one shorter (2.54 Å) and two longer (2.57 Å) Ni–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to two equivalent Ta and two Ni atoms. In the second Te site, Te is bonded in a 5-coordinate geometry to one Ta and four Ni atoms.},
doi = {10.17188/1202746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}