Materials Data on Eu5Cd2Sb5O by Materials Project

doi:10.17188/1751957

Title: Materials Data on Eu5Cd2Sb5O by Materials Project

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Abstract

Eu5Cd2Sb5O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Eu+2.60+ sites. In the first Eu+2.60+ site, Eu+2.60+ is bonded in a distorted single-bond geometry to five Sb3- and one O2- atom. There are a spread of Eu–Sb bond distances ranging from 3.25–3.58 Å. The Eu–O bond length is 2.30 Å. In the second Eu+2.60+ site, Eu+2.60+ is bonded in a distorted bent 120 degrees geometry to six Sb3- and two equivalent O2- atoms. There are two shorter (3.50 Å) and four longer (3.68 Å) Eu–Sb bond lengths. Both Eu–O bond lengths are 2.61 Å. In the third Eu+2.60+ site, Eu+2.60+ is bonded in a distorted hexagonal planar geometry to six Sb3- atoms. There are two shorter (3.39 Å) and four longer (3.44 Å) Eu–Sb bond lengths. In the fourth Eu+2.60+ site, Eu+2.60+ is bonded to six Sb3- atoms to form EuSb6 octahedra that share edges with two equivalent EuSb6 octahedra and edges with four equivalent CdSb4 tetrahedra. There are four shorter (3.25 Å) and two longer (3.32 Å) Eu–Sb bond lengths. Cd2+ is bonded to four Sb3- atoms to form CdSb4 tetrahedra that share corners with three equivalent CdSb4 tetrahedra and edges withmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1193503

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; Eu5Cd2Sb5O; Cd-Eu-O-Sb

OSTI Identifier:: 1751957

DOI:: https://doi.org/10.17188/1751957

Citation Formats


                    The Materials Project. Materials Data on Eu5Cd2Sb5O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751957.

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                    The Materials Project. Materials Data on Eu5Cd2Sb5O by Materials Project.  United States.  doi:https://doi.org/10.17188/1751957

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                    The Materials Project. 2020.  
"Materials Data on Eu5Cd2Sb5O by Materials Project".  United States.  doi:https://doi.org/10.17188/1751957.  https://www.osti.gov/servlets/purl/1751957. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751957,

  title        = {Materials Data on Eu5Cd2Sb5O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu5Cd2Sb5O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Eu+2.60+ sites. In the first Eu+2.60+ site, Eu+2.60+ is bonded in a distorted single-bond geometry to five Sb3- and one O2- atom. There are a spread of Eu–Sb bond distances ranging from 3.25–3.58 Å. The Eu–O bond length is 2.30 Å. In the second Eu+2.60+ site, Eu+2.60+ is bonded in a distorted bent 120 degrees geometry to six Sb3- and two equivalent O2- atoms. There are two shorter (3.50 Å) and four longer (3.68 Å) Eu–Sb bond lengths. Both Eu–O bond lengths are 2.61 Å. In the third Eu+2.60+ site, Eu+2.60+ is bonded in a distorted hexagonal planar geometry to six Sb3- atoms. There are two shorter (3.39 Å) and four longer (3.44 Å) Eu–Sb bond lengths. In the fourth Eu+2.60+ site, Eu+2.60+ is bonded to six Sb3- atoms to form EuSb6 octahedra that share edges with two equivalent EuSb6 octahedra and edges with four equivalent CdSb4 tetrahedra. There are four shorter (3.25 Å) and two longer (3.32 Å) Eu–Sb bond lengths. Cd2+ is bonded to four Sb3- atoms to form CdSb4 tetrahedra that share corners with three equivalent CdSb4 tetrahedra and edges with two equivalent EuSb6 octahedra. There are a spread of Cd–Sb bond distances ranging from 2.88–2.99 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six Eu+2.60+, one Cd2+, and one Sb3- atom. The Sb–Sb bond length is 2.93 Å. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six Eu+2.60+ and two equivalent Cd2+ atoms. In the third Sb3- site, Sb3- is bonded in a 7-coordinate geometry to five Eu+2.60+ and two equivalent Cd2+ atoms. O2- is bonded to four Eu+2.60+ atoms to form corner-sharing OEu4 tetrahedra.},

  doi          = {10.17188/1751957},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751957

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