Materials Data on Te7WCl5O by Materials Project
Abstract
WOCl4(Te)5Te2Cl crystallizes in the orthorhombic Pcca space group. The structure is one-dimensional and consists of twenty tellurium molecules; four Te2Cl clusters; and two WOCl4 ribbons oriented in the (1, 0, 0) direction. In each Te2Cl cluster, Te+0.57+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.18 Å. Cl1- is bonded in a water-like geometry to two equivalent Te+0.57+ atoms. In each WOCl4 ribbon, W3+ is bonded to two equivalent O2- and four Cl1- atoms to form corner-sharing WCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.86 Å) and one longer (2.03 Å) W–O bond length. All W–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent W3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-697593
- 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; Te7WCl5O; Cl-O-Te-W
- OSTI Identifier:
- 1285167
- DOI:
- https://doi.org/10.17188/1285167
Citation Formats
The Materials Project. Materials Data on Te7WCl5O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285167.
The Materials Project. Materials Data on Te7WCl5O by Materials Project. United States. doi:https://doi.org/10.17188/1285167
The Materials Project. 2020.
"Materials Data on Te7WCl5O by Materials Project". United States. doi:https://doi.org/10.17188/1285167. https://www.osti.gov/servlets/purl/1285167. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1285167,
title = {Materials Data on Te7WCl5O by Materials Project},
author = {The Materials Project},
abstractNote = {WOCl4(Te)5Te2Cl crystallizes in the orthorhombic Pcca space group. The structure is one-dimensional and consists of twenty tellurium molecules; four Te2Cl clusters; and two WOCl4 ribbons oriented in the (1, 0, 0) direction. In each Te2Cl cluster, Te+0.57+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.18 Å. Cl1- is bonded in a water-like geometry to two equivalent Te+0.57+ atoms. In each WOCl4 ribbon, W3+ is bonded to two equivalent O2- and four Cl1- atoms to form corner-sharing WCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.86 Å) and one longer (2.03 Å) W–O bond length. All W–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent W3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom.},
doi = {10.17188/1285167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}