Materials Data on SrNb2O4 by Materials Project

doi:10.17188/1298375

Title: Materials Data on SrNb2O4 by Materials Project

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Abstract

SrNb2O4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.59 Å. There are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are a spread of Nb–O bond distances ranging from 2.14–2.19 Å. In the second Nb3+ site, Nb3+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are a spread of Nb–O bond distances ranging from 2.13–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Sr2+ and three Nb3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Sr2+ and three Nb3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three Nb3+ atoms to form a mixture of face, edge, and corner-sharing OSr2Nb3 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-768342

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; SrNb2O4; Nb-O-Sr

OSTI Identifier:: 1298375

DOI:: https://doi.org/10.17188/1298375

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                    The Materials Project. Materials Data on SrNb2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298375.

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                    The Materials Project. Materials Data on SrNb2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298375

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                    The Materials Project. 2020.  
"Materials Data on SrNb2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298375.  https://www.osti.gov/servlets/purl/1298375. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1298375,

  title        = {Materials Data on SrNb2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrNb2O4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.59 Å. There are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are a spread of Nb–O bond distances ranging from 2.14–2.19 Å. In the second Nb3+ site, Nb3+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are a spread of Nb–O bond distances ranging from 2.13–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Sr2+ and three Nb3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Sr2+ and three Nb3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three Nb3+ atoms to form a mixture of face, edge, and corner-sharing OSr2Nb3 trigonal bipyramids.},

  doi          = {10.17188/1298375},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298375

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