Materials Data on UCr5P3 by Materials Project

doi:10.17188/1262323

Title: Materials Data on UCr5P3 by Materials Project

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Abstract

UCr5P3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to two equivalent Cr and six P atoms. Both U–Cr bond lengths are 2.91 Å. There are four shorter (2.82 Å) and two longer (2.90 Å) U–P bond lengths. There are five inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.44–2.53 Å. In the second Cr site, Cr is bonded to four P atoms to form a mixture of distorted edge and corner-sharing CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.36–2.41 Å. In the third Cr site, Cr is bonded to four P atoms to form distorted CrP4 tetrahedra that share corners with ten CrP4 tetrahedra and edges with three CrU2P4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.31–2.40 Å. In the fourth Cr site, Cr is bonded to two equivalent U and four P atoms to form a mixture of distorted edge and corner-sharing CrU2P4 tetrahedra. All Cr–P bond lengths are 2.32 Å. In the fifth Cr site, Cr ismore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-505155

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; UCr5P3; Cr-P-U

OSTI Identifier:: 1262323

DOI:: https://doi.org/10.17188/1262323

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                    The Materials Project. Materials Data on UCr5P3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262323.

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                    The Materials Project. Materials Data on UCr5P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262323

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                    The Materials Project. 2020.  
"Materials Data on UCr5P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262323.  https://www.osti.gov/servlets/purl/1262323. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1262323,

  title        = {Materials Data on UCr5P3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCr5P3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to two equivalent Cr and six P atoms. Both U–Cr bond lengths are 2.91 Å. There are four shorter (2.82 Å) and two longer (2.90 Å) U–P bond lengths. There are five inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.44–2.53 Å. In the second Cr site, Cr is bonded to four P atoms to form a mixture of distorted edge and corner-sharing CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.36–2.41 Å. In the third Cr site, Cr is bonded to four P atoms to form distorted CrP4 tetrahedra that share corners with ten CrP4 tetrahedra and edges with three CrU2P4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.31–2.40 Å. In the fourth Cr site, Cr is bonded to two equivalent U and four P atoms to form a mixture of distorted edge and corner-sharing CrU2P4 tetrahedra. All Cr–P bond lengths are 2.32 Å. In the fifth Cr site, Cr is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Cr–P bond distances ranging from 2.32–2.48 Å. 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 Cr atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Cr atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Cr atoms.},

  doi          = {10.17188/1262323},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262323

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