Materials Data on Sr2Sb3 by Materials Project

doi:10.17188/1192224

Title: Materials Data on Sr2Sb3 by Materials Project

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Abstract

Sr2Sb3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight Sb+1.33- atoms to form a mixture of distorted edge, face, and corner-sharing SrSb8 hexagonal bipyramids. There are a spread of Sr–Sb bond distances ranging from 3.39–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.38–3.63 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to nine Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.39–3.94 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.36–3.96 Å. There are six inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and two Sb+1.33- atoms. There are one shorter (2.94 Å) and one longer (2.96 Å) Sb–Sb bond lengths. In the second Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and onemore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-16897

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; Sr2Sb3; Sb-Sr

OSTI Identifier:: 1192224

DOI:: https://doi.org/10.17188/1192224

Citation Formats


                    The Materials Project. Materials Data on Sr2Sb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192224.

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                    The Materials Project. Materials Data on Sr2Sb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192224

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                    The Materials Project. 2020.  
"Materials Data on Sr2Sb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192224.  https://www.osti.gov/servlets/purl/1192224. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1192224,

  title        = {Materials Data on Sr2Sb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Sb3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight Sb+1.33- atoms to form a mixture of distorted edge, face, and corner-sharing SrSb8 hexagonal bipyramids. There are a spread of Sr–Sb bond distances ranging from 3.39–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.38–3.63 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to nine Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.39–3.94 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.36–3.96 Å. There are six inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and two Sb+1.33- atoms. There are one shorter (2.94 Å) and one longer (2.96 Å) Sb–Sb bond lengths. In the second Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and one Sb+1.33- atom. In the third Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and one Sb+1.33- atom. The Sb–Sb bond length is 2.98 Å. In the fourth Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to six Sr2+ and two Sb+1.33- atoms. The Sb–Sb bond length is 2.94 Å. In the fifth Sb+1.33- site, Sb+1.33- is bonded in a 4-coordinate geometry to five Sr2+ and two Sb+1.33- atoms. The Sb–Sb bond length is 3.08 Å. In the sixth Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to five Sr2+ and two Sb+1.33- atoms.},

  doi          = {10.17188/1192224},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192224

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