Materials Data on CeUB8 by Materials Project

doi:10.17188/1722052

Title: Materials Data on CeUB8 by Materials Project

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Abstract

UCeB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U3+ is bonded in a 12-coordinate geometry to eighteen B+0.75- atoms. There are a spread of U–B bond distances ranging from 2.70–3.02 Å. Ce3+ is bonded in a 12-coordinate geometry to eighteen B+0.75- atoms. There are a spread of Ce–B bond distances ranging from 2.72–3.01 Å. There are five inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 1-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.61–1.77 Å. In the second B+0.75- site, B+0.75- is bonded in a 9-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.70–1.85 Å. In the third B+0.75- site, B+0.75- is bonded in a 9-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. The B–B bond length is 1.71 Å. In the fourth B+0.75- site, B+0.75- is bonded in a distorted trigonal planar geometry to four equivalent U3+, two equivalent Ce3+, and three B+0.75- atoms. The B–B bond length is 1.75 Å. In the fifth B+0.75-more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1226540

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; CeUB8; B-Ce-U

OSTI Identifier:: 1722052

DOI:: https://doi.org/10.17188/1722052

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                    The Materials Project. Materials Data on CeUB8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722052.

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                    The Materials Project. Materials Data on CeUB8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722052

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                    The Materials Project. 2020.  
"Materials Data on CeUB8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722052.  https://www.osti.gov/servlets/purl/1722052. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1722052,

  title        = {Materials Data on CeUB8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCeB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U3+ is bonded in a 12-coordinate geometry to eighteen B+0.75- atoms. There are a spread of U–B bond distances ranging from 2.70–3.02 Å. Ce3+ is bonded in a 12-coordinate geometry to eighteen B+0.75- atoms. There are a spread of Ce–B bond distances ranging from 2.72–3.01 Å. There are five inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 1-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.61–1.77 Å. In the second B+0.75- site, B+0.75- is bonded in a 9-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.70–1.85 Å. In the third B+0.75- site, B+0.75- is bonded in a 9-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. The B–B bond length is 1.71 Å. In the fourth B+0.75- site, B+0.75- is bonded in a distorted trigonal planar geometry to four equivalent U3+, two equivalent Ce3+, and three B+0.75- atoms. The B–B bond length is 1.75 Å. In the fifth B+0.75- site, B+0.75- is bonded in a 3-coordinate geometry to two equivalent U3+, four equivalent Ce3+, and three B+0.75- atoms. The B–B bond length is 1.78 Å.},

  doi          = {10.17188/1722052},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1722052

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