Materials Data on CaEu4O5 by Materials Project

doi:10.17188/1739176

Title: Materials Data on CaEu4O5 by Materials Project

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Abstract

CaEu4O5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four equivalent EuO6 octahedra, and edges with twelve equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.46 Å) and two longer (2.52 Å) Ca–O bond lengths. Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share a cornercorner with one CaO6 octahedra, corners with five equivalent EuO6 octahedra, edges with three equivalent CaO6 octahedra, and edges with nine equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.51–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OCaEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form OCa2Eu4 octahedra that share corners with six OCa2Eu4 octahedra and edges with twelve equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1178520

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; CaEu4O5; Ca-Eu-O

OSTI Identifier:: 1739176

DOI:: https://doi.org/10.17188/1739176

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                    The Materials Project. Materials Data on CaEu4O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739176.

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                    The Materials Project. Materials Data on CaEu4O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739176

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                    The Materials Project. 2020.  
"Materials Data on CaEu4O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739176.  https://www.osti.gov/servlets/purl/1739176. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1739176,

  title        = {Materials Data on CaEu4O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaEu4O5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four equivalent EuO6 octahedra, and edges with twelve equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.46 Å) and two longer (2.52 Å) Ca–O bond lengths. Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share a cornercorner with one CaO6 octahedra, corners with five equivalent EuO6 octahedra, edges with three equivalent CaO6 octahedra, and edges with nine equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.51–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OCaEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form OCa2Eu4 octahedra that share corners with six OCa2Eu4 octahedra and edges with twelve equivalent OCaEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},

  doi          = {10.17188/1739176},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1739176

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