U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd(AuF6)2 by Materials Project
Abstract
Cd(AuF6)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Au–F bond distances ranging from 1.92–1.99 Å. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with six equivalent AuF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are two shorter (2.27 Å) and four longer (2.28 Å) Cd–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Cd2+ atom. In the sixth F1-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-557715
- 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; Cd(AuF6)2; Au-Cd-F
- OSTI Identifier:
- 1269970
- DOI:
- https://doi.org/10.17188/1269970
Citation Formats
The Materials Project. Materials Data on Cd(AuF6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269970.
The Materials Project. Materials Data on Cd(AuF6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1269970
The Materials Project. 2020.
"Materials Data on Cd(AuF6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1269970. https://www.osti.gov/servlets/purl/1269970. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269970,
title = {Materials Data on Cd(AuF6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(AuF6)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Au–F bond distances ranging from 1.92–1.99 Å. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with six equivalent AuF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are two shorter (2.27 Å) and four longer (2.28 Å) Cd–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Cd2+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom.},
doi = {10.17188/1269970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}