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Title: Materials Data on Ta4NiTe4 by Materials Project

Abstract

Ta4NiTe4 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of two Ta4NiTe4 ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.62 Å. There are a spread of Ta–Te bond distances ranging from 2.87–2.90 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.63 Å. There are a spread of Ta–Te bond distances ranging from 2.86–2.91 Å. In the third Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.63 Å. There are a spread of Ta–Te bond distances ranging from 2.88–2.92 Å. In the fourth Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.62 Å. There are two shorter (2.87 Å) and two longer (2.89 Å) Ta–Te bond lengths. Ni is bonded in a 10-coordinate geometry to eight Ta andmore » two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.38 Å. There are four inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the second Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the third Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the fourth Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1197091
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; Ta4NiTe4; Ni-Ta-Te
OSTI Identifier:
1689166
DOI:
https://doi.org/10.17188/1689166

Citation Formats

The Materials Project. Materials Data on Ta4NiTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689166.
The Materials Project. Materials Data on Ta4NiTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1689166
The Materials Project. 2020. "Materials Data on Ta4NiTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1689166. https://www.osti.gov/servlets/purl/1689166. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689166,
title = {Materials Data on Ta4NiTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta4NiTe4 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of two Ta4NiTe4 ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.62 Å. There are a spread of Ta–Te bond distances ranging from 2.87–2.90 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.63 Å. There are a spread of Ta–Te bond distances ranging from 2.86–2.91 Å. In the third Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.63 Å. There are a spread of Ta–Te bond distances ranging from 2.88–2.92 Å. In the fourth Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ni and four Te atoms. Both Ta–Ni bond lengths are 2.62 Å. There are two shorter (2.87 Å) and two longer (2.89 Å) Ta–Te bond lengths. Ni is bonded in a 10-coordinate geometry to eight Ta and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.38 Å. There are four inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the second Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the third Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the fourth Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms.},
doi = {10.17188/1689166},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}