Materials Data on Er4OsBr4 by Materials Project

doi:10.17188/1695963

Title: Materials Data on Er4OsBr4 by Materials Project

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Abstract

Er4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.96–3.12 Å. In the second Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.95–3.09 Å. Os is bonded in a 8-coordinate geometry to eight Er atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Er atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Er atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1212840

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; Er4OsBr4; Br-Er-Os

OSTI Identifier:: 1695963

DOI:: https://doi.org/10.17188/1695963

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                    The Materials Project. Materials Data on Er4OsBr4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695963.

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                    The Materials Project. Materials Data on Er4OsBr4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695963

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                    The Materials Project. 2020.  
"Materials Data on Er4OsBr4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695963.  https://www.osti.gov/servlets/purl/1695963. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1695963,

  title        = {Materials Data on Er4OsBr4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.96–3.12 Å. In the second Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.95–3.09 Å. Os is bonded in a 8-coordinate geometry to eight Er atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Er atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Er atoms.},

  doi          = {10.17188/1695963},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1695963

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