Materials Data on V4Bi3 by Materials Project

doi:10.17188/1738956

Title: Materials Data on V4Bi3 by Materials Project

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Abstract

V4Bi3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to eight V and four Bi atoms. There are four shorter (2.56 Å) and four longer (2.92 Å) V–V bond lengths. There are two shorter (2.76 Å) and two longer (2.94 Å) V–Bi bond lengths. In the second V site, V is bonded to six Bi atoms to form edge-sharing VBi6 octahedra. There are a spread of V–Bi bond distances ranging from 2.72–2.86 Å. In the third V site, V is bonded in a 6-coordinate geometry to one V and six Bi atoms. The V–V bond length is 2.77 Å. There are a spread of V–Bi bond distances ranging from 2.80–2.93 Å. In the fourth V site, V is bonded in a 10-coordinate geometry to five V and five Bi atoms. There are one shorter (2.42 Å) and one longer (2.53 Å) V–V bond lengths. There are a spread of V–Bi bond distances ranging from 2.91–3.17 Å. In the fifth V site, V is bonded in a 9-coordinate geometry to four V and five Bi atoms. There are a spreadmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1120823

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; V4Bi3; Bi-V

OSTI Identifier:: 1738956

DOI:: https://doi.org/10.17188/1738956

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                    The Materials Project. Materials Data on V4Bi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738956.

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                    The Materials Project. Materials Data on V4Bi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738956

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                    The Materials Project. 2020.  
"Materials Data on V4Bi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738956.  https://www.osti.gov/servlets/purl/1738956. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1738956,

  title        = {Materials Data on V4Bi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V4Bi3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to eight V and four Bi atoms. There are four shorter (2.56 Å) and four longer (2.92 Å) V–V bond lengths. There are two shorter (2.76 Å) and two longer (2.94 Å) V–Bi bond lengths. In the second V site, V is bonded to six Bi atoms to form edge-sharing VBi6 octahedra. There are a spread of V–Bi bond distances ranging from 2.72–2.86 Å. In the third V site, V is bonded in a 6-coordinate geometry to one V and six Bi atoms. The V–V bond length is 2.77 Å. There are a spread of V–Bi bond distances ranging from 2.80–2.93 Å. In the fourth V site, V is bonded in a 10-coordinate geometry to five V and five Bi atoms. There are one shorter (2.42 Å) and one longer (2.53 Å) V–V bond lengths. There are a spread of V–Bi bond distances ranging from 2.91–3.17 Å. In the fifth V site, V is bonded in a 9-coordinate geometry to four V and five Bi atoms. There are a spread of V–Bi bond distances ranging from 2.94–3.18 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded to six V atoms to form distorted corner-sharing BiV6 octahedra. The corner-sharing octahedral tilt angles are 85°. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six V atoms. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven V atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to eight V atoms.},

  doi          = {10.17188/1738956},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738956

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