U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TeS3N2 by Materials Project
Abstract
N2TeS3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two N2TeS3 sheets oriented in the (0, 0, 1) direction. N1+ is bonded in a water-like geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.73 Å) N–S bond length. Te4+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.68 Å) and two longer (2.76 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one N1+ and two equivalent Te4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent N1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179042
- 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; TeS3N2; N-S-Te
- OSTI Identifier:
- 1717279
- DOI:
- https://doi.org/10.17188/1717279
Citation Formats
The Materials Project. Materials Data on TeS3N2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717279.
The Materials Project. Materials Data on TeS3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1717279
The Materials Project. 2020.
"Materials Data on TeS3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1717279. https://www.osti.gov/servlets/purl/1717279. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1717279,
title = {Materials Data on TeS3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {N2TeS3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two N2TeS3 sheets oriented in the (0, 0, 1) direction. N1+ is bonded in a water-like geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.73 Å) N–S bond length. Te4+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.68 Å) and two longer (2.76 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one N1+ and two equivalent Te4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent N1+ atoms.},
doi = {10.17188/1717279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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