Materials Data on EuV2IO9 by Materials Project

doi:10.17188/1675462

Title: Materials Data on EuV2IO9 by Materials Project

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Abstract

EuV2O9I crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.69 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to five O2- atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.69–1.96 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.05 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1197271

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; EuV2IO9; Eu-I-O-V

OSTI Identifier:: 1675462

DOI:: https://doi.org/10.17188/1675462

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                    The Materials Project. Materials Data on EuV2IO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675462.

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                    The Materials Project. Materials Data on EuV2IO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675462

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                    The Materials Project. 2020.  
"Materials Data on EuV2IO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675462.  https://www.osti.gov/servlets/purl/1675462. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1675462,

  title        = {Materials Data on EuV2IO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuV2O9I crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.69 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to five O2- atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.69–1.96 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.05 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Eu3+ and one I5+ atom. The O–I bond length is 1.81 Å. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+ and one V5+ atom. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},

  doi          = {10.17188/1675462},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675462

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