Materials Data on V11FeB8 by Materials Project

doi:10.17188/1729399

Title: Materials Data on V11FeB8 by Materials Project

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Abstract

V11FeB8 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are six inequivalent V2+ sites. In the first V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of V–B bond distances ranging from 2.25–2.28 Å. In the second V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.27 Å) and two longer (2.28 Å) V–B bond lengths. In the third V2+ site, V2+ is bonded in a 6-coordinate geometry to six B3- atoms. All V–B bond lengths are 2.26 Å. In the fourth V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of V–B bond distances ranging from 2.27–2.29 Å. In the fifth V2+ site, V2+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) V–B bond lengths. In the sixth V2+ site, V2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are two shorter (2.30 Å) and two longer (2.32 Å) V–B bond lengths. Fe2+ is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1216907

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; V11FeB8; B-Fe-V

OSTI Identifier:: 1729399

DOI:: https://doi.org/10.17188/1729399

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                    The Materials Project. Materials Data on V11FeB8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729399.

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                    The Materials Project. Materials Data on V11FeB8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729399

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                    The Materials Project. 2020.  
"Materials Data on V11FeB8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729399.  https://www.osti.gov/servlets/purl/1729399. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1729399,

  title        = {Materials Data on V11FeB8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V11FeB8 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are six inequivalent V2+ sites. In the first V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of V–B bond distances ranging from 2.25–2.28 Å. In the second V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.27 Å) and two longer (2.28 Å) V–B bond lengths. In the third V2+ site, V2+ is bonded in a 6-coordinate geometry to six B3- atoms. All V–B bond lengths are 2.26 Å. In the fourth V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of V–B bond distances ranging from 2.27–2.29 Å. In the fifth V2+ site, V2+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) V–B bond lengths. In the sixth V2+ site, V2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are two shorter (2.30 Å) and two longer (2.32 Å) V–B bond lengths. Fe2+ is bonded in a distorted square co-planar geometry to four B3- atoms. There are two shorter (2.26 Å) and two longer (2.29 Å) Fe–B bond lengths. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven V2+, one Fe2+, and one B3- atom. The B–B bond length is 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to eight V2+ and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V2+, one Fe2+, and one B3- atom. The B–B bond length is 1.80 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to eight V2+ and one B3- atom. The B–B bond length is 1.79 Å.},

  doi          = {10.17188/1729399},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729399

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