Materials Data on LaIO3 by Materials Project

doi:10.17188/1662178

Title: Materials Data on LaIO3 by Materials Project

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Abstract

LaO3I crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two LaO3I sheets oriented in the (1, 0, 0) direction. La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.42–2.74 Å. There are three inequivalent O sites. In the first O site, O is bonded in a T-shaped geometry to one La and two equivalent I atoms. Both O–I bond lengths are 2.09 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded to four equivalent La atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. I is bonded in a T-shaped geometry to three O atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1080184

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; LaIO3; I-La-O

OSTI Identifier:: 1662178

DOI:: https://doi.org/10.17188/1662178

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                    The Materials Project. Materials Data on LaIO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662178.

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                    The Materials Project. Materials Data on LaIO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662178

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                    The Materials Project. 2020.  
"Materials Data on LaIO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662178.  https://www.osti.gov/servlets/purl/1662178. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1662178,

  title        = {Materials Data on LaIO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaO3I crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two LaO3I sheets oriented in the (1, 0, 0) direction. La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.42–2.74 Å. There are three inequivalent O sites. In the first O site, O is bonded in a T-shaped geometry to one La and two equivalent I atoms. Both O–I bond lengths are 2.09 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded to four equivalent La atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. I is bonded in a T-shaped geometry to three O atoms.},

  doi          = {10.17188/1662178},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662178

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