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Title: Materials Data on PtF5 by Materials Project

Abstract

PtF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PtF5 clusters. there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded to six F1- atoms to form corner-sharing PtF6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Pt–F bond distances ranging from 1.89–2.05 Å. In the second Pt5+ site, Pt5+ is bonded to six F1- atoms to form corner-sharing PtF6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Pt–F bond distances ranging from 1.89–2.05 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two Pt5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom.more » In the seventh F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Pt5+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-541341
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; PtF5; F-Pt
OSTI Identifier:
1265064
DOI:
https://doi.org/10.17188/1265064

Citation Formats

The Materials Project. Materials Data on PtF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1265064.
The Materials Project. Materials Data on PtF5 by Materials Project. United States. doi:https://doi.org/10.17188/1265064
The Materials Project. 2020. "Materials Data on PtF5 by Materials Project". United States. doi:https://doi.org/10.17188/1265064. https://www.osti.gov/servlets/purl/1265064. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1265064,
title = {Materials Data on PtF5 by Materials Project},
author = {The Materials Project},
abstractNote = {PtF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PtF5 clusters. there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded to six F1- atoms to form corner-sharing PtF6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Pt–F bond distances ranging from 1.89–2.05 Å. In the second Pt5+ site, Pt5+ is bonded to six F1- atoms to form corner-sharing PtF6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Pt–F bond distances ranging from 1.89–2.05 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two Pt5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Pt5+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Pt5+ atoms.},
doi = {10.17188/1265064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}