Materials Data on UV5P3 by Materials Project

doi:10.17188/1715080

Title: Materials Data on UV5P3 by Materials Project

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Abstract

UV5P3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six P atoms. There are a spread of U–P bond distances ranging from 2.82–2.84 Å. There are five inequivalent V sites. In the first V site, V is bonded to four P atoms to form a mixture of distorted corner and edge-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.38–2.50 Å. In the second V site, V is bonded to four P atoms to form a mixture of distorted corner and edge-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.38–2.48 Å. In the third V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.40–2.47 Å. In the fourth V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.44–2.55 Å. In the fifth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.51 Å) and one longer (2.61 Å) V–P bond lengths. There are threemore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207879

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; UV5P3; P-U-V

OSTI Identifier:: 1715080

DOI:: https://doi.org/10.17188/1715080

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                    The Materials Project. Materials Data on UV5P3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1715080.

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                    The Materials Project. Materials Data on UV5P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715080

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                    The Materials Project. 2020.  
"Materials Data on UV5P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715080.  https://www.osti.gov/servlets/purl/1715080. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1715080,

  title        = {Materials Data on UV5P3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UV5P3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six P atoms. There are a spread of U–P bond distances ranging from 2.82–2.84 Å. There are five inequivalent V sites. In the first V site, V is bonded to four P atoms to form a mixture of distorted corner and edge-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.38–2.50 Å. In the second V site, V is bonded to four P atoms to form a mixture of distorted corner and edge-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.38–2.48 Å. In the third V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.40–2.47 Å. In the fourth V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.44–2.55 Å. In the fifth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.51 Å) and one longer (2.61 Å) V–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven V atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven V atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven V atoms.},

  doi          = {10.17188/1715080},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1715080

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