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

Title: Materials Data on HgPdF4 by Materials Project

Abstract

PdHgF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with four equivalent PdF6 octahedra and corners with eight equivalent HgF6 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. There are a spread of Pd–F bond distances ranging from 2.20–2.24 Å. Hg2+ is bonded to six F1- atoms to form HgF6 octahedra that share corners with four equivalent HgF6 octahedra and corners with eight equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of Hg–F bond distances ranging from 2.31–2.39 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Hg2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Pd2+ and two equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-1224125
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; HgPdF4; F-Hg-Pd
OSTI Identifier:
1728805
DOI:
https://doi.org/10.17188/1728805

Citation Formats

The Materials Project. Materials Data on HgPdF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728805.
The Materials Project. Materials Data on HgPdF4 by Materials Project. United States. doi:https://doi.org/10.17188/1728805
The Materials Project. 2020. "Materials Data on HgPdF4 by Materials Project". United States. doi:https://doi.org/10.17188/1728805. https://www.osti.gov/servlets/purl/1728805. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1728805,
title = {Materials Data on HgPdF4 by Materials Project},
author = {The Materials Project},
abstractNote = {PdHgF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with four equivalent PdF6 octahedra and corners with eight equivalent HgF6 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. There are a spread of Pd–F bond distances ranging from 2.20–2.24 Å. Hg2+ is bonded to six F1- atoms to form HgF6 octahedra that share corners with four equivalent HgF6 octahedra and corners with eight equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of Hg–F bond distances ranging from 2.31–2.39 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Hg2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Pd2+ and two equivalent Hg2+ atoms.},
doi = {10.17188/1728805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}