Materials Data on Sr2NdBeO5 by Materials Project

doi:10.17188/1733045

Title: Materials Data on Sr2NdBeO5 by Materials Project

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Abstract

Sr2BeNdO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.91 Å. Be is bonded in a tetrahedral geometry to four O atoms. There are a spread of Be–O bond distances ranging from 1.65–1.68 Å. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.88 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four equivalent Sr, one Be, and one Nd atom. In the second O site, O is bonded to four equivalent Sr and two equivalent Nd atoms to form distorted corner-sharing OSr4Nd2 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Sr, one Be, and two equivalent Nd atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one Nd atom.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1208779

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; Sr2NdBeO5; Be-Nd-O-Sr

OSTI Identifier:: 1733045

DOI:: https://doi.org/10.17188/1733045

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                    The Materials Project. Materials Data on Sr2NdBeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733045.

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                    The Materials Project. Materials Data on Sr2NdBeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733045

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                    The Materials Project. 2020.  
"Materials Data on Sr2NdBeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733045.  https://www.osti.gov/servlets/purl/1733045. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1733045,

  title        = {Materials Data on Sr2NdBeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2BeNdO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.91 Å. Be is bonded in a tetrahedral geometry to four O atoms. There are a spread of Be–O bond distances ranging from 1.65–1.68 Å. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.88 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four equivalent Sr, one Be, and one Nd atom. In the second O site, O is bonded to four equivalent Sr and two equivalent Nd atoms to form distorted corner-sharing OSr4Nd2 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Sr, one Be, and two equivalent Nd atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one Nd atom.},

  doi          = {10.17188/1733045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1733045

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