DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TaNiTe2 by Materials Project

Abstract

TaNiTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one TaNiTe2 sheet oriented in the (0, 1, 0) direction. Ta3+ is bonded in a 6-coordinate geometry to four Te2- atoms. There are two shorter (2.80 Å) and two longer (2.84 Å) Ta–Te bond lengths. Ni1+ is bonded to four Te2- atoms to form a mixture of distorted corner and edge-sharing NiTe4 trigonal pyramids. There are two shorter (2.57 Å) and two longer (2.61 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms.

Publication Date:
Other Number(s):
mp-19810
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; TaNiTe2; Ni-Ta-Te
OSTI Identifier:
1195009
DOI:
https://doi.org/10.17188/1195009

Citation Formats

The Materials Project. Materials Data on TaNiTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195009.
The Materials Project. Materials Data on TaNiTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1195009
The Materials Project. 2020. "Materials Data on TaNiTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1195009. https://www.osti.gov/servlets/purl/1195009. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195009,
title = {Materials Data on TaNiTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TaNiTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one TaNiTe2 sheet oriented in the (0, 1, 0) direction. Ta3+ is bonded in a 6-coordinate geometry to four Te2- atoms. There are two shorter (2.80 Å) and two longer (2.84 Å) Ta–Te bond lengths. Ni1+ is bonded to four Te2- atoms to form a mixture of distorted corner and edge-sharing NiTe4 trigonal pyramids. There are two shorter (2.57 Å) and two longer (2.61 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms.},
doi = {10.17188/1195009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}