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Title: Materials Data on Hg2P4PdO8 by Materials Project

Abstract

PdHg2P4O8 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pd2+ is bonded in a 4-coordinate geometry to four equivalent P3+ atoms. All Pd–P bond lengths are 2.32 Å. Hg1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.69 Å) Hg–O bond lengths. P3+ is bonded in a bent 120 degrees geometry to one Pd2+ and two O2- atoms. There is one shorter (1.49 Å) and one longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one P3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg1+ and one P3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1213487
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; Hg2P4PdO8; Hg-O-P-Pd
OSTI Identifier:
1695411
DOI:
https://doi.org/10.17188/1695411

Citation Formats

The Materials Project. Materials Data on Hg2P4PdO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695411.
The Materials Project. Materials Data on Hg2P4PdO8 by Materials Project. United States. doi:https://doi.org/10.17188/1695411
The Materials Project. 2020. "Materials Data on Hg2P4PdO8 by Materials Project". United States. doi:https://doi.org/10.17188/1695411. https://www.osti.gov/servlets/purl/1695411. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1695411,
title = {Materials Data on Hg2P4PdO8 by Materials Project},
author = {The Materials Project},
abstractNote = {PdHg2P4O8 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pd2+ is bonded in a 4-coordinate geometry to four equivalent P3+ atoms. All Pd–P bond lengths are 2.32 Å. Hg1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.69 Å) Hg–O bond lengths. P3+ is bonded in a bent 120 degrees geometry to one Pd2+ and two O2- atoms. There is one shorter (1.49 Å) and one longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one P3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg1+ and one P3+ atom.},
doi = {10.17188/1695411},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}