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

Title: Materials Data on PrHf2F11 by Materials Project

Abstract

PrHf2F11 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.40 Å) and four longer (2.41 Å) Pr–F bond lengths. Hf4+ is bonded to seven F1- atoms to form distorted corner-sharing HfF7 pentagonal bipyramids. There are a spread of Hf–F bond distances ranging from 2.03–2.10 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Hf4+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Hf4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom.

Publication Date:
Other Number(s):
mp-1209557
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PrHf2F11; F-Hf-Pr
OSTI Identifier:
1665687
DOI:
https://doi.org/10.17188/1665687

Citation Formats

The Materials Project. Materials Data on PrHf2F11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665687.
The Materials Project. Materials Data on PrHf2F11 by Materials Project. United States. doi:https://doi.org/10.17188/1665687
The Materials Project. 2020. "Materials Data on PrHf2F11 by Materials Project". United States. doi:https://doi.org/10.17188/1665687. https://www.osti.gov/servlets/purl/1665687. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1665687,
title = {Materials Data on PrHf2F11 by Materials Project},
author = {The Materials Project},
abstractNote = {PrHf2F11 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.40 Å) and four longer (2.41 Å) Pr–F bond lengths. Hf4+ is bonded to seven F1- atoms to form distorted corner-sharing HfF7 pentagonal bipyramids. There are a spread of Hf–F bond distances ranging from 2.03–2.10 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Hf4+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Hf4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Hf4+ atom.},
doi = {10.17188/1665687},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}