Materials Data on Eu3FeO6 by Materials Project

doi:10.17188/1651924

Title: Materials Data on Eu3FeO6 by Materials Project

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Abstract

Eu3FeO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with five EuO7 pentagonal bipyramids, corners with three equivalent FeO4 tetrahedra, edges with five EuO7 pentagonal bipyramids, an edgeedge with one FeO4 tetrahedra, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.28–2.69 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent EuO7 pentagonal bipyramids, a cornercorner with one FeO4 tetrahedra, edges with eight EuO7 pentagonal bipyramids, and an edgeedge with one FeO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.36–2.51 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with seven EuO7 pentagonal bipyramids and edges with three EuO7 pentagonal bipyramids. There is two shorter (1.88 Å) and two longer (1.90 Å) Fe–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to formmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1189159

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; Eu3FeO6; Eu-Fe-O

OSTI Identifier:: 1651924

DOI:: https://doi.org/10.17188/1651924

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                    The Materials Project. Materials Data on Eu3FeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651924.

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                    The Materials Project. Materials Data on Eu3FeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651924

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                    The Materials Project. 2020.  
"Materials Data on Eu3FeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651924.  https://www.osti.gov/servlets/purl/1651924. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1651924,

  title        = {Materials Data on Eu3FeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3FeO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with five EuO7 pentagonal bipyramids, corners with three equivalent FeO4 tetrahedra, edges with five EuO7 pentagonal bipyramids, an edgeedge with one FeO4 tetrahedra, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.28–2.69 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent EuO7 pentagonal bipyramids, a cornercorner with one FeO4 tetrahedra, edges with eight EuO7 pentagonal bipyramids, and an edgeedge with one FeO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.36–2.51 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with seven EuO7 pentagonal bipyramids and edges with three EuO7 pentagonal bipyramids. There is two shorter (1.88 Å) and two longer (1.90 Å) Fe–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Fe3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Eu3+ and one Fe3+ atom. In the fourth O2- site, O2- is bonded to three Eu3+ and one Fe3+ atom to form distorted corner-sharing OEu3Fe tetrahedra.},

  doi          = {10.17188/1651924},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651924

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