Materials Data on CaEu2O3 by Materials Project

doi:10.17188/1290481

Title: Materials Data on CaEu2O3 by Materials Project

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Abstract

CaEu2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with two equivalent CaO6 pentagonal pyramids, and edges with ten equivalent EuO6 pentagonal pyramids. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. Eu2+ is bonded to six O2- atoms to form distorted EuO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with five equivalent CaO6 pentagonal pyramids, and edges with seven equivalent EuO6 pentagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.50–2.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharingmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-756336

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; CaEu2O3; Ca-Eu-O

OSTI Identifier:: 1290481

DOI:: https://doi.org/10.17188/1290481

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                    The Materials Project. Materials Data on CaEu2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290481.

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                    The Materials Project. Materials Data on CaEu2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290481

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                    The Materials Project. 2020.  
"Materials Data on CaEu2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290481.  https://www.osti.gov/servlets/purl/1290481. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1290481,

  title        = {Materials Data on CaEu2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaEu2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with two equivalent CaO6 pentagonal pyramids, and edges with ten equivalent EuO6 pentagonal pyramids. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. Eu2+ is bonded to six O2- atoms to form distorted EuO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with five equivalent CaO6 pentagonal pyramids, and edges with seven equivalent EuO6 pentagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.50–2.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°.},

  doi          = {10.17188/1290481},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290481

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