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Title: Materials Data on Hg3PClO4 by Materials Project

Abstract

Hg3PO4Cl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hg+1.33+ is bonded in a 2-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Hg–O bond distances ranging from 2.29–2.88 Å. The Hg–Cl bond length is 2.78 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.53 Å) and three longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg+1.33+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Hg+1.33+ and one P5+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg+1.33+ atoms.

Publication Date:
Other Number(s):
mp-558585
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; Hg3PClO4; Cl-Hg-O-P
OSTI Identifier:
1270407
DOI:
https://doi.org/10.17188/1270407

Citation Formats

The Materials Project. Materials Data on Hg3PClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270407.
The Materials Project. Materials Data on Hg3PClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1270407
The Materials Project. 2020. "Materials Data on Hg3PClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1270407. https://www.osti.gov/servlets/purl/1270407. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1270407,
title = {Materials Data on Hg3PClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg3PO4Cl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hg+1.33+ is bonded in a 2-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Hg–O bond distances ranging from 2.29–2.88 Å. The Hg–Cl bond length is 2.78 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.53 Å) and three longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg+1.33+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Hg+1.33+ and one P5+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg+1.33+ atoms.},
doi = {10.17188/1270407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}