Materials Data on SmVSb3 by Materials Project

doi:10.17188/1677851

Title: Materials Data on SmVSb3 by Materials Project

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Abstract

SmVSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Sb+2.67- atoms. There are a spread of Sm–Sb bond distances ranging from 3.23–3.38 Å. V5+ is bonded to six Sb+2.67- atoms to form a mixture of edge, face, and corner-sharing VSb6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.71 Å) and four longer (2.74 Å) V–Sb bond lengths. There are three inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb+2.67- atoms. There are two shorter (3.02 Å) and two longer (3.14 Å) Sb–Sb bond lengths. In the second Sb+2.67- site, Sb+2.67- is bonded in a 5-coordinate geometry to one Sm3+, four equivalent V5+, and one Sb+2.67- atom. The Sb–Sb bond length is 3.19 Å. In the third Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent V5+, and one Sb+2.67- atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1208885

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; SmVSb3; Sb-Sm-V

OSTI Identifier:: 1677851

DOI:: https://doi.org/10.17188/1677851

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                    The Materials Project. Materials Data on SmVSb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677851.

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                    The Materials Project. Materials Data on SmVSb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677851

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                    The Materials Project. 2020.  
"Materials Data on SmVSb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677851.  https://www.osti.gov/servlets/purl/1677851. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677851,

  title        = {Materials Data on SmVSb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmVSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Sb+2.67- atoms. There are a spread of Sm–Sb bond distances ranging from 3.23–3.38 Å. V5+ is bonded to six Sb+2.67- atoms to form a mixture of edge, face, and corner-sharing VSb6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.71 Å) and four longer (2.74 Å) V–Sb bond lengths. There are three inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb+2.67- atoms. There are two shorter (3.02 Å) and two longer (3.14 Å) Sb–Sb bond lengths. In the second Sb+2.67- site, Sb+2.67- is bonded in a 5-coordinate geometry to one Sm3+, four equivalent V5+, and one Sb+2.67- atom. The Sb–Sb bond length is 3.19 Å. In the third Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent V5+, and one Sb+2.67- atom.},

  doi          = {10.17188/1677851},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1677851

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