Materials Data on TaTeCl9 by Materials Project
Abstract
TaTeCl9 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TaTeCl9 ribbon oriented in the (1, 0, 0) direction. Ta5+ is bonded to six Cl1- atoms to form TaCl6 octahedra that share corners with three equivalent TeCl6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Ta–Cl bond distances ranging from 2.30–2.48 Å. Te4+ is bonded to six Cl1- atoms to form distorted TeCl6 octahedra that share corners with three equivalent TaCl6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Te–Cl bond distances ranging from 2.33–3.15 Å. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Ta5+ and one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Ta5+ and one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ta5+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-541877
- 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; TaTeCl9; Cl-Ta-Te
- OSTI Identifier:
- 1266295
- DOI:
- https://doi.org/10.17188/1266295
Citation Formats
The Materials Project. Materials Data on TaTeCl9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266295.
The Materials Project. Materials Data on TaTeCl9 by Materials Project. United States. doi:https://doi.org/10.17188/1266295
The Materials Project. 2020.
"Materials Data on TaTeCl9 by Materials Project". United States. doi:https://doi.org/10.17188/1266295. https://www.osti.gov/servlets/purl/1266295. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1266295,
title = {Materials Data on TaTeCl9 by Materials Project},
author = {The Materials Project},
abstractNote = {TaTeCl9 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TaTeCl9 ribbon oriented in the (1, 0, 0) direction. Ta5+ is bonded to six Cl1- atoms to form TaCl6 octahedra that share corners with three equivalent TeCl6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Ta–Cl bond distances ranging from 2.30–2.48 Å. Te4+ is bonded to six Cl1- atoms to form distorted TeCl6 octahedra that share corners with three equivalent TaCl6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Te–Cl bond distances ranging from 2.33–3.15 Å. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Ta5+ and one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Ta5+ and one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ta5+ and one Te4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the ninth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.},
doi = {10.17188/1266295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}