Materials Data on V5Si3 by Materials Project

doi:10.17188/1274636

Title: Materials Data on V5Si3 by Materials Project

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Abstract

V5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing VSi6 pentagonal pyramids. There are a spread of V–Si bond distances ranging from 2.49–2.72 Å. In the second V+2.40+ site, V+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent V+2.40+ and four equivalent Si4- atoms. Both V–V bond lengths are 2.36 Å. All V–Si bond lengths are 2.51 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to ten V+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent V+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.36 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-568671

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; V5Si3; Si-V

OSTI Identifier:: 1274636

DOI:: https://doi.org/10.17188/1274636

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                    The Materials Project. Materials Data on V5Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274636.

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                    The Materials Project. Materials Data on V5Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274636

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                    The Materials Project. 2020.  
"Materials Data on V5Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274636.  https://www.osti.gov/servlets/purl/1274636. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274636,

  title        = {Materials Data on V5Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing VSi6 pentagonal pyramids. There are a spread of V–Si bond distances ranging from 2.49–2.72 Å. In the second V+2.40+ site, V+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent V+2.40+ and four equivalent Si4- atoms. Both V–V bond lengths are 2.36 Å. All V–Si bond lengths are 2.51 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to ten V+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent V+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.36 Å.},

  doi          = {10.17188/1274636},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274636

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