U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta6S by Materials Project
Abstract
Ta6S crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ta6S sheet oriented in the (0, 2, -1) direction. there are seven inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to two Ta atoms. There are one shorter (2.02 Å) and one longer (2.11 Å) Ta–Ta bond lengths. In the second Ta site, Ta is bonded in a distorted single-bond geometry to two Ta and one S atom. The Ta–Ta bond length is 2.09 Å. The Ta–S bond length is 2.15 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the fourth Ta site, Ta is bonded in a distorted T-shaped geometry to three Ta atoms. There are one shorter (2.09 Å) and one longer (2.38 Å) Ta–Ta bond lengths. In the fifth Ta site, Ta is bonded in a single-bond geometry to one Ta and one S atom. The Ta–S bond length is 1.89 Å. In the sixth Ta site, Ta is bonded in a distorted single-bond geometry to one Ta and one S atom. The Ta–Ta bond length is 2.02 Å. The Ta–S bond lengthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-558552
- 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; Ta6S; S-Ta
- OSTI Identifier:
- 1270390
- DOI:
- https://doi.org/10.17188/1270390
Citation Formats
The Materials Project. Materials Data on Ta6S by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1270390.
The Materials Project. Materials Data on Ta6S by Materials Project. United States. doi:https://doi.org/10.17188/1270390
The Materials Project. 2014.
"Materials Data on Ta6S by Materials Project". United States. doi:https://doi.org/10.17188/1270390. https://www.osti.gov/servlets/purl/1270390. Pub date:Fri Mar 21 00:00:00 EDT 2014
@article{osti_1270390,
title = {Materials Data on Ta6S by Materials Project},
author = {The Materials Project},
abstractNote = {Ta6S crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ta6S sheet oriented in the (0, 2, -1) direction. there are seven inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to two Ta atoms. There are one shorter (2.02 Å) and one longer (2.11 Å) Ta–Ta bond lengths. In the second Ta site, Ta is bonded in a distorted single-bond geometry to two Ta and one S atom. The Ta–Ta bond length is 2.09 Å. The Ta–S bond length is 2.15 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the fourth Ta site, Ta is bonded in a distorted T-shaped geometry to three Ta atoms. There are one shorter (2.09 Å) and one longer (2.38 Å) Ta–Ta bond lengths. In the fifth Ta site, Ta is bonded in a single-bond geometry to one Ta and one S atom. The Ta–S bond length is 1.89 Å. In the sixth Ta site, Ta is bonded in a distorted single-bond geometry to one Ta and one S atom. The Ta–Ta bond length is 2.02 Å. The Ta–S bond length is 2.19 Å. In the seventh Ta site, Ta is bonded in a distorted linear geometry to two equivalent Ta atoms. S is bonded in a 3-coordinate geometry to three Ta atoms.},
doi = {10.17188/1270390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {3}
}