Materials Data on EuFeGe2O7 by Materials Project

doi:10.17188/1729094

Title: Materials Data on EuFeGe2O7 by Materials Project

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Abstract

EuFeGe2O7 crystallizes in the monoclinic P2_1/c 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 2.34–2.82 Å. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.92–2.03 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent FeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.74–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent FeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.82 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Eu3+, one Fe3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1213269

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; EuFeGe2O7; Eu-Fe-Ge-O

OSTI Identifier:: 1729094

DOI:: https://doi.org/10.17188/1729094

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                    The Materials Project. Materials Data on EuFeGe2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729094.

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                    The Materials Project. Materials Data on EuFeGe2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729094

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                    The Materials Project. 2020.  
"Materials Data on EuFeGe2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729094.  https://www.osti.gov/servlets/purl/1729094. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1729094,

  title        = {Materials Data on EuFeGe2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuFeGe2O7 crystallizes in the monoclinic P2_1/c 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 2.34–2.82 Å. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.92–2.03 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent FeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.74–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent FeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.82 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Eu3+, one Fe3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+, one Fe3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+, one Fe3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+, one Fe3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+, one Fe3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and two Ge4+ atoms.},

  doi          = {10.17188/1729094},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1729094

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