U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AgW6CCl18 by Materials Project
Abstract
W6AgCCl18 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. W+3.50+ is bonded to one C4- and five Cl1- atoms to form WCCl5 octahedra that share a cornercorner with one AgCl6 octahedra, corners with two equivalent WCCl5 octahedra, edges with two equivalent WCCl5 octahedra, and a faceface with one WCCl5 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. The W–C bond length is 2.17 Å. There are a spread of W–Cl bond distances ranging from 2.40–2.47 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent WCCl5 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ag–Cl bond lengths are 2.88 Å. C4- is bonded in a distorted pentagonal pyramidal geometry to six equivalent W+3.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometrymore »
- Publication Date:
- Other Number(s):
- mp-1214992
- 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; Ag-C-Cl-W; AgW6CCl18; crystal structure
- OSTI Identifier:
- 1672912
- DOI:
- https://doi.org/10.17188/1672912
Citation Formats
Materials Data on AgW6CCl18 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672912.
Materials Data on AgW6CCl18 by Materials Project. United States. doi:https://doi.org/10.17188/1672912
2020.
"Materials Data on AgW6CCl18 by Materials Project". United States. doi:https://doi.org/10.17188/1672912. https://www.osti.gov/servlets/purl/1672912. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1672912,
title = {Materials Data on AgW6CCl18 by Materials Project},
abstractNote = {W6AgCCl18 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. W+3.50+ is bonded to one C4- and five Cl1- atoms to form WCCl5 octahedra that share a cornercorner with one AgCl6 octahedra, corners with two equivalent WCCl5 octahedra, edges with two equivalent WCCl5 octahedra, and a faceface with one WCCl5 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. The W–C bond length is 2.17 Å. There are a spread of W–Cl bond distances ranging from 2.40–2.47 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent WCCl5 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ag–Cl bond lengths are 2.88 Å. C4- is bonded in a distorted pentagonal pyramidal geometry to six equivalent W+3.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one W+3.50+ and one Ag1+ atom.},
doi = {10.17188/1672912},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}