Materials Data on UReC2 by Materials Project

doi:10.17188/1722072

Title: Materials Data on UReC2 by Materials Project

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Abstract

UReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven C4- atoms to form distorted UC7 pentagonal bipyramids that share corners with four equivalent UC7 pentagonal bipyramids, corners with three equivalent ReC5 trigonal bipyramids, edges with four equivalent UC7 pentagonal bipyramids, edges with seven equivalent ReC5 trigonal bipyramids, and faces with two equivalent UC7 pentagonal bipyramids. There are a spread of U–C bond distances ranging from 2.38–2.49 Å. Re4+ is bonded to five C4- atoms to form ReC5 trigonal bipyramids that share corners with three equivalent UC7 pentagonal bipyramids, corners with four equivalent ReC5 trigonal bipyramids, edges with seven equivalent UC7 pentagonal bipyramids, and edges with two equivalent ReC5 trigonal bipyramids. There are a spread of Re–C bond distances ranging from 2.11–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U4+ and two equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU4Re2 octahedra. The corner-sharing octahedra tilt angles range from 13–59°. In the second C4- site, C4- is bonded to three equivalent U4+ and three equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU3Re3 octahedra.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1105571

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; UReC2; C-Re-U

OSTI Identifier:: 1722072

DOI:: https://doi.org/10.17188/1722072

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                    The Materials Project. Materials Data on UReC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722072.

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                    The Materials Project. Materials Data on UReC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722072

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                    The Materials Project. 2020.  
"Materials Data on UReC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722072.  https://www.osti.gov/servlets/purl/1722072. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1722072,

  title        = {Materials Data on UReC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven C4- atoms to form distorted UC7 pentagonal bipyramids that share corners with four equivalent UC7 pentagonal bipyramids, corners with three equivalent ReC5 trigonal bipyramids, edges with four equivalent UC7 pentagonal bipyramids, edges with seven equivalent ReC5 trigonal bipyramids, and faces with two equivalent UC7 pentagonal bipyramids. There are a spread of U–C bond distances ranging from 2.38–2.49 Å. Re4+ is bonded to five C4- atoms to form ReC5 trigonal bipyramids that share corners with three equivalent UC7 pentagonal bipyramids, corners with four equivalent ReC5 trigonal bipyramids, edges with seven equivalent UC7 pentagonal bipyramids, and edges with two equivalent ReC5 trigonal bipyramids. There are a spread of Re–C bond distances ranging from 2.11–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U4+ and two equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU4Re2 octahedra. The corner-sharing octahedra tilt angles range from 13–59°. In the second C4- site, C4- is bonded to three equivalent U4+ and three equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU3Re3 octahedra. The corner-sharing octahedra tilt angles range from 13–59°.},

  doi          = {10.17188/1722072},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722072

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