Materials Data on SrEr2O4 by Materials Project

doi:10.17188/1271464

Title: Materials Data on SrEr2O4 by Materials Project

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Abstract

SrEr2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.89 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Er–O bond distances ranging from 2.21–2.34 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Er–O bond distances ranging from 2.24–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Er3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Er3+ atoms to form a mixture of corner and edge-sharing OSr2Er3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Er3+ atoms. Inmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-560445

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; SrEr2O4; Er-O-Sr

OSTI Identifier:: 1271464

DOI:: https://doi.org/10.17188/1271464

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                    The Materials Project. Materials Data on SrEr2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271464.

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                    The Materials Project. Materials Data on SrEr2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271464

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                    The Materials Project. 2020.  
"Materials Data on SrEr2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271464.  https://www.osti.gov/servlets/purl/1271464. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1271464,

  title        = {Materials Data on SrEr2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrEr2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.89 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Er–O bond distances ranging from 2.21–2.34 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Er–O bond distances ranging from 2.24–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Er3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Er3+ atoms to form a mixture of corner and edge-sharing OSr2Er3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Er3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Er3 trigonal bipyramids.},

  doi          = {10.17188/1271464},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271464

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