Materials Data on La2HgO4 by Materials Project

doi:10.17188/1306198

Title: Materials Data on La2HgO4 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-779287

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; La2HgO4; Hg-La-O

OSTI Identifier:: 1306198

DOI:: https://doi.org/10.17188/1306198

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                    The Materials Project. Materials Data on La2HgO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1306198.

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                    The Materials Project. Materials Data on La2HgO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1306198

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1306198

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