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

Title: Materials Data on HgP2PdO7 by Materials Project

Abstract

PdHgP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.06 Å) Pd–O bond lengths. Hg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.97 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-1190352
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; HgP2PdO7; Hg-O-P-Pd
OSTI Identifier:
1744758
DOI:
https://doi.org/10.17188/1744758

Citation Formats

The Materials Project. Materials Data on HgP2PdO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744758.
The Materials Project. Materials Data on HgP2PdO7 by Materials Project. United States. doi:https://doi.org/10.17188/1744758
The Materials Project. 2020. "Materials Data on HgP2PdO7 by Materials Project". United States. doi:https://doi.org/10.17188/1744758. https://www.osti.gov/servlets/purl/1744758. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744758,
title = {Materials Data on HgP2PdO7 by Materials Project},
author = {The Materials Project},
abstractNote = {PdHgP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.06 Å) Pd–O bond lengths. Hg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.97 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom.},
doi = {10.17188/1744758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}