DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CuPtF6 by Materials Project

Abstract

PtCuF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six CuF6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of Pt–F bond distances ranging from 1.95–2.00 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of Cu–F bond distances ranging from 1.95–2.17 Å. In the second Cu1+ site, Cu1+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–45°. There are a spread of Cu–F bond distances ranging from 1.97–2.17 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. Inmore » the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Cu1+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pt5+ and one Cu1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-28488
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; CuPtF6; Cu-F-Pt
OSTI Identifier:
1202585
DOI:
https://doi.org/10.17188/1202585

Citation Formats

The Materials Project. Materials Data on CuPtF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202585.
The Materials Project. Materials Data on CuPtF6 by Materials Project. United States. doi:https://doi.org/10.17188/1202585
The Materials Project. 2020. "Materials Data on CuPtF6 by Materials Project". United States. doi:https://doi.org/10.17188/1202585. https://www.osti.gov/servlets/purl/1202585. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202585,
title = {Materials Data on CuPtF6 by Materials Project},
author = {The Materials Project},
abstractNote = {PtCuF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six CuF6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of Pt–F bond distances ranging from 1.95–2.00 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of Cu–F bond distances ranging from 1.95–2.17 Å. In the second Cu1+ site, Cu1+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–45°. There are a spread of Cu–F bond distances ranging from 1.97–2.17 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Cu1+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pt5+ and one Cu1+ atom.},
doi = {10.17188/1202585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}