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Title: Materials Data on Hg4P2O7 by Materials Project

Abstract

(Hg2)2P2O7 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one (Hg2)2P2O7 sheet oriented in the (-1, 0, 2) direction. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.29–2.58 Å. In the second Hg1+ site, Hg1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.15 Å) and one longer (2.63 Å) Hg–O bond lengths. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Hg1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and onemore » P5+ atom.« less

Publication Date:
Other Number(s):
mp-29710
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; Hg4P2O7; Hg-O-P
OSTI Identifier:
1204184
DOI:
https://doi.org/10.17188/1204184

Citation Formats

The Materials Project. Materials Data on Hg4P2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204184.
The Materials Project. Materials Data on Hg4P2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1204184
The Materials Project. 2020. "Materials Data on Hg4P2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1204184. https://www.osti.gov/servlets/purl/1204184. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204184,
title = {Materials Data on Hg4P2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {(Hg2)2P2O7 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one (Hg2)2P2O7 sheet oriented in the (-1, 0, 2) direction. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.29–2.58 Å. In the second Hg1+ site, Hg1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.15 Å) and one longer (2.63 Å) Hg–O bond lengths. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Hg1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one P5+ atom.},
doi = {10.17188/1204184},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}