Materials Data on LaCO4 by Materials Project

doi:10.17188/1674837

Title: Materials Data on LaCO4 by Materials Project

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Abstract

LaCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. La is bonded in a 2-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.37–3.05 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent La atoms. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent La and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the fourth O site, O is bonded in a single-bond geometry to three equivalent La and one C atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1211254

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; LaCO4; C-La-O

OSTI Identifier:: 1674837

DOI:: https://doi.org/10.17188/1674837

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                    The Materials Project. Materials Data on LaCO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674837.

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                    The Materials Project. Materials Data on LaCO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674837

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                    The Materials Project. 2020.  
"Materials Data on LaCO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674837.  https://www.osti.gov/servlets/purl/1674837. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1674837,

  title        = {Materials Data on LaCO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. La is bonded in a 2-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.37–3.05 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent La atoms. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent La and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the fourth O site, O is bonded in a single-bond geometry to three equivalent La and one C atom.},

  doi          = {10.17188/1674837},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1674837

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