Materials Data on NbNiTe2 by Materials Project
Abstract
NbNiTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one NbNiTe2 sheet oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 6-coordinate geometry to four Te2- atoms. There are two shorter (2.81 Å) and two longer (2.85 Å) Nb–Te bond lengths. Ni2+ is bonded to four Te2- atoms to form a mixture of distorted edge and corner-sharing NiTe4 trigonal pyramids. There are two shorter (2.57 Å) and two longer (2.60 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 Nb2+ and two equivalent Ni2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Ni2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20506
- 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; NbNiTe2; Nb-Ni-Te
- OSTI Identifier:
- 1195638
- DOI:
- https://doi.org/10.17188/1195638
Citation Formats
The Materials Project. Materials Data on NbNiTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195638.
The Materials Project. Materials Data on NbNiTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1195638
The Materials Project. 2020.
"Materials Data on NbNiTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1195638. https://www.osti.gov/servlets/purl/1195638. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1195638,
title = {Materials Data on NbNiTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbNiTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one NbNiTe2 sheet oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 6-coordinate geometry to four Te2- atoms. There are two shorter (2.81 Å) and two longer (2.85 Å) Nb–Te bond lengths. Ni2+ is bonded to four Te2- atoms to form a mixture of distorted edge and corner-sharing NiTe4 trigonal pyramids. There are two shorter (2.57 Å) and two longer (2.60 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 Nb2+ and two equivalent Ni2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1195638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}