Materials Data on LaOF by Materials Project

doi:10.17188/1286594

Title: Materials Data on LaOF by Materials Project

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Abstract

LaOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All La–O bond lengths are 2.40 Å. All La–F bond lengths are 2.64 Å. O2- is bonded to four equivalent La3+ atoms to form distorted OLa4 tetrahedra that share corners with four equivalent OLa4 tetrahedra, corners with twelve equivalent FLa4 tetrahedra, edges with two equivalent FLa4 tetrahedra, and edges with four equivalent OLa4 tetrahedra. F1- is bonded to four equivalent La3+ atoms to form distorted FLa4 tetrahedra that share corners with four equivalent FLa4 tetrahedra, corners with twelve equivalent OLa4 tetrahedra, edges with two equivalent OLa4 tetrahedra, and edges with four equivalent FLa4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-7100

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; LaOF; F-La-O

OSTI Identifier:: 1286594

DOI:: https://doi.org/10.17188/1286594

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                    The Materials Project. Materials Data on LaOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286594.

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                    The Materials Project. Materials Data on LaOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1286594

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                    The Materials Project. 2020.  
"Materials Data on LaOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1286594.  https://www.osti.gov/servlets/purl/1286594. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1286594,

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

  author       = {The Materials Project},

  abstractNote = {LaOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All La–O bond lengths are 2.40 Å. All La–F bond lengths are 2.64 Å. O2- is bonded to four equivalent La3+ atoms to form distorted OLa4 tetrahedra that share corners with four equivalent OLa4 tetrahedra, corners with twelve equivalent FLa4 tetrahedra, edges with two equivalent FLa4 tetrahedra, and edges with four equivalent OLa4 tetrahedra. F1- is bonded to four equivalent La3+ atoms to form distorted FLa4 tetrahedra that share corners with four equivalent FLa4 tetrahedra, corners with twelve equivalent OLa4 tetrahedra, edges with two equivalent OLa4 tetrahedra, and edges with four equivalent FLa4 tetrahedra.},

  doi          = {10.17188/1286594},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1286594

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