U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbNiTe5 by Materials Project
Abstract
NbNiTe5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NbNiTe5 sheets oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.80- atoms. There are a spread of Nb–Te bond distances ranging from 2.86–2.93 Å. Ni2+ is bonded to six Te+0.80- atoms to form edge-sharing NiTe6 octahedra. There are four shorter (2.59 Å) and two longer (2.60 Å) Ni–Te bond lengths. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 3-coordinate geometry to one Nb2+ and two equivalent Ni2+ atoms. In the second Te+0.80- site, Te+0.80- is bonded in a distorted L-shaped geometry to two equivalent Nb2+ atoms. In the third Te+0.80- site, Te+0.80- is bonded in a 3-coordinate geometry to two equivalent Nb2+ and one Ni2+ atom.
- Publication Date:
- Other Number(s):
- mp-8999
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nb-Ni-Te; NbNiTe5; crystal structure
- OSTI Identifier:
- 1312913
- DOI:
- https://doi.org/10.17188/1312913
Citation Formats
Materials Data on NbNiTe5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312913.
Materials Data on NbNiTe5 by Materials Project. United States. doi:https://doi.org/10.17188/1312913
2020.
"Materials Data on NbNiTe5 by Materials Project". United States. doi:https://doi.org/10.17188/1312913. https://www.osti.gov/servlets/purl/1312913. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1312913,
title = {Materials Data on NbNiTe5 by Materials Project},
abstractNote = {NbNiTe5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NbNiTe5 sheets oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.80- atoms. There are a spread of Nb–Te bond distances ranging from 2.86–2.93 Å. Ni2+ is bonded to six Te+0.80- atoms to form edge-sharing NiTe6 octahedra. There are four shorter (2.59 Å) and two longer (2.60 Å) Ni–Te bond lengths. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 3-coordinate geometry to one Nb2+ and two equivalent Ni2+ atoms. In the second Te+0.80- site, Te+0.80- is bonded in a distorted L-shaped geometry to two equivalent Nb2+ atoms. In the third Te+0.80- site, Te+0.80- is bonded in a 3-coordinate geometry to two equivalent Nb2+ and one Ni2+ atom.},
doi = {10.17188/1312913},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}