Materials Data on Er(BRu)4 by Materials Project

doi:10.17188/1740686

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

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Abstract

Er(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Er–B bond distances ranging from 2.96–3.21 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 2.14–2.28 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Er3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.78 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1196250

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

OSTI Identifier:: 1740686

DOI:: https://doi.org/10.17188/1740686

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                    The Materials Project. Materials Data on Er(BRu)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740686.

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                    The Materials Project. Materials Data on Er(BRu)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740686

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                    The Materials Project. 2020.  
"Materials Data on Er(BRu)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740686.  https://www.osti.gov/servlets/purl/1740686. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740686,

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

  author       = {The Materials Project},

  abstractNote = {Er(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Er–B bond distances ranging from 2.96–3.21 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 2.14–2.28 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Er3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.78 Å.},

  doi          = {10.17188/1740686},

  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/10.17188/1740686

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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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La(RuB)4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to eight equivalent B3- atoms. There are four shorter (2.97 Å) and four longer (3.03 Å) La–B bond lengths. Ru+2.25+ is bonded in a 4-coordinate geometry to five equivalent B3- atoms. There are a spread of Ru–B bond distances ranging from 2.15–2.74 Å. B3- is bonded in a 5-coordinate geometry to two equivalent La3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.79 Å.
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LuRu4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Lu–B bond distances ranging from 2.93–3.22 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 2.14–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Lu3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.78 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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