Materials Data on U2B6W by Materials Project

doi:10.17188/1744218

Title: Materials Data on U2B6W by Materials Project

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Abstract

U2WB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of U–B bond distances ranging from 2.64–2.80 Å. In the second U3+ site, U3+ is bonded in a 12-coordinate geometry to one U3+ and twelve B2- atoms. The U–U bond length is 2.53 Å. There are a spread of U–B bond distances ranging from 2.63–2.74 Å. W6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of W–B bond distances ranging from 2.37–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent U3+, two equivalent W6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.78–1.83 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.69 Å) and one longer (1.81 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, twomore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1203029

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; U2B6W; B-U-W

OSTI Identifier:: 1744218

DOI:: https://doi.org/10.17188/1744218

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                    The Materials Project. Materials Data on U2B6W by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744218.

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                    The Materials Project. Materials Data on U2B6W by Materials Project.  United States.  doi:https://doi.org/10.17188/1744218

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                    The Materials Project. 2020.  
"Materials Data on U2B6W by Materials Project".  United States.  doi:https://doi.org/10.17188/1744218.  https://www.osti.gov/servlets/purl/1744218. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744218,

  title        = {Materials Data on U2B6W by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2WB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of U–B bond distances ranging from 2.64–2.80 Å. In the second U3+ site, U3+ is bonded in a 12-coordinate geometry to one U3+ and twelve B2- atoms. The U–U bond length is 2.53 Å. There are a spread of U–B bond distances ranging from 2.63–2.74 Å. W6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of W–B bond distances ranging from 2.37–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent U3+, two equivalent W6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.78–1.83 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.69 Å) and one longer (1.81 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.68 Å) and one longer (1.83 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six U3+ and two B2- atoms.},

  doi          = {10.17188/1744218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1744218

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