Materials Data on V3PC by Materials Project

doi:10.17188/1663842

Title: Materials Data on V3PC by Materials Project

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Abstract

V3CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+2.33+ sites. In the first V+2.33+ site, V+2.33+ is bonded in a 5-coordinate geometry to two equivalent C4- and three equivalent P3- atoms. Both V–C bond lengths are 2.07 Å. There are two shorter (2.43 Å) and one longer (2.55 Å) V–P bond lengths. In the second V+2.33+ site, V+2.33+ is bonded in a 2-coordinate geometry to two equivalent C4- and two equivalent P3- atoms. Both V–C bond lengths are 1.99 Å. Both V–P bond lengths are 2.36 Å. C4- is bonded to six V+2.33+ atoms to form a mixture of corner and edge-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 37°. P3- is bonded in a 8-coordinate geometry to eight V+2.33+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1080573

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; V3PC; C-P-V

OSTI Identifier:: 1663842

DOI:: https://doi.org/10.17188/1663842

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                    The Materials Project. Materials Data on V3PC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663842.

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                    The Materials Project. Materials Data on V3PC by Materials Project.  United States.  doi:https://doi.org/10.17188/1663842

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                    The Materials Project. 2020.  
"Materials Data on V3PC by Materials Project".  United States.  doi:https://doi.org/10.17188/1663842.  https://www.osti.gov/servlets/purl/1663842. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1663842,

  title        = {Materials Data on V3PC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V3CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+2.33+ sites. In the first V+2.33+ site, V+2.33+ is bonded in a 5-coordinate geometry to two equivalent C4- and three equivalent P3- atoms. Both V–C bond lengths are 2.07 Å. There are two shorter (2.43 Å) and one longer (2.55 Å) V–P bond lengths. In the second V+2.33+ site, V+2.33+ is bonded in a 2-coordinate geometry to two equivalent C4- and two equivalent P3- atoms. Both V–C bond lengths are 1.99 Å. Both V–P bond lengths are 2.36 Å. C4- is bonded to six V+2.33+ atoms to form a mixture of corner and edge-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 37°. P3- is bonded in a 8-coordinate geometry to eight V+2.33+ atoms.},

  doi          = {10.17188/1663842},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663842

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