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Title: Materials Data on La2HgO4 by Materials Project

Abstract

La2HgO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to seven O2- atoms to form distorted edge-sharing LaO7 hexagonal pyramids. There are a spread of La–O bond distances ranging from 2.39–2.60 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.65 Å. Hg2+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (3.04 Å) Hg–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Hg2+ atoms. In the second O2- site, O2- is bonded to three equivalent La3+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OLa3Hg tetrahedra. In the third O2- site, O2- is bonded to three La3+ and one Hg2+ atom to form distorted OLa3Hg tetrahedra that share corners with eight OLa3Hg tetrahedra and edges with two equivalent OLa4 tetrahedra. In the fourth O2- site, O2- is bonded to fourmore » La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-779287
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; La2HgO4; Hg-La-O
OSTI Identifier:
1306198
DOI:
https://doi.org/10.17188/1306198

Citation Formats

The Materials Project. Materials Data on La2HgO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306198.
The Materials Project. Materials Data on La2HgO4 by Materials Project. United States. doi:https://doi.org/10.17188/1306198
The Materials Project. 2020. "Materials Data on La2HgO4 by Materials Project". United States. doi:https://doi.org/10.17188/1306198. https://www.osti.gov/servlets/purl/1306198. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1306198,
title = {Materials Data on La2HgO4 by Materials Project},
author = {The Materials Project},
abstractNote = {La2HgO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to seven O2- atoms to form distorted edge-sharing LaO7 hexagonal pyramids. There are a spread of La–O bond distances ranging from 2.39–2.60 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.65 Å. Hg2+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (3.04 Å) Hg–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Hg2+ atoms. In the second O2- site, O2- is bonded to three equivalent La3+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OLa3Hg tetrahedra. In the third O2- site, O2- is bonded to three La3+ and one Hg2+ atom to form distorted OLa3Hg tetrahedra that share corners with eight OLa3Hg tetrahedra and edges with two equivalent OLa4 tetrahedra. In the fourth O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1306198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}