Materials Data on BaOsO9 by Materials Project

doi:10.17188/1742018

Title: Materials Data on BaOsO9 by Materials Project

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Abstract

BaOsO9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.12 Å. Os is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Os–O bond distances ranging from 1.77–2.04 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the third O site, O is bonded in a water-like geometry to one Ba and one Os atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ba and one Os atom. In the fifth O site, O is bonded in a distorted water-like geometry to one Ba and one Os atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Os atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1182621

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; BaOsO9; Ba-O-Os

OSTI Identifier:: 1742018

DOI:: https://doi.org/10.17188/1742018

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                    The Materials Project. Materials Data on BaOsO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742018.

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                    The Materials Project. Materials Data on BaOsO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1742018

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                    The Materials Project. 2020.  
"Materials Data on BaOsO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1742018.  https://www.osti.gov/servlets/purl/1742018. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1742018,

  title        = {Materials Data on BaOsO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaOsO9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.12 Å. Os is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Os–O bond distances ranging from 1.77–2.04 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the third O site, O is bonded in a water-like geometry to one Ba and one Os atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ba and one Os atom. In the fifth O site, O is bonded in a distorted water-like geometry to one Ba and one Os atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Os atom.},

  doi          = {10.17188/1742018},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1742018

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