Materials Data on Y(BRu)4 by Materials Project

doi:10.17188/1186669

Title: Materials Data on Y(BRu)4 by Materials Project

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Abstract

Y(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Y3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Y–B bond distances ranging from 2.97–3.22 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form a mixture of distorted edge and corner-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.15–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Y3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.80 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-10138

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; Y(BRu)4; B-Ru-Y

OSTI Identifier:: 1186669

DOI:: https://doi.org/10.17188/1186669

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                    The Materials Project. Materials Data on Y(BRu)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186669.

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                    The Materials Project. Materials Data on Y(BRu)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186669

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                    The Materials Project. 2020.  
"Materials Data on Y(BRu)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186669.  https://www.osti.gov/servlets/purl/1186669. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1186669,

  title        = {Materials Data on Y(BRu)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Y3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Y–B bond distances ranging from 2.97–3.22 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form a mixture of distorted edge and corner-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.15–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Y3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.80 Å.},

  doi          = {10.17188/1186669},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1186669

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Materials Data on U(BRu)4 by Materials Project

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U(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. U4+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of U–B bond distances ranging from 2.96–3.22 Å. Ru2+ is bonded to five equivalent B3- atoms to form a mixture of distorted edge and corner-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.14–2.26 Å. B3- is bonded in a 6-coordinate geometry to three equivalent U4+, five equivalent Ru2+, and one B3- atom. The B–B bond length is 1.75 Å.
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Ho(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Ho3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Ho–B bond distances ranging from 2.95–3.22 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form a mixture of distorted corner and edge-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.15–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ho3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.79 Å.
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