Materials Data on Er(CoB)4 by Materials Project

doi:10.17188/1678587

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

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Abstract

Er(CoB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are eight shorter (2.87 Å) and four longer (2.89 Å) Er–B bond lengths. Co+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Co–B bond distances ranging from 2.04–2.10 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Er3+, five equivalent Co+2.25+, and one B3- atom. The B–B bond length is 1.75 Å.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1189246

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(CoB)4; B-Co-Er

OSTI Identifier:: 1678587

DOI:: https://doi.org/10.17188/1678587

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                    The Materials Project. Materials Data on Er(CoB)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1678587.

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                    The Materials Project. Materials Data on Er(CoB)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678587

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                    The Materials Project. 2019.  
"Materials Data on Er(CoB)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678587.  https://www.osti.gov/servlets/purl/1678587. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1678587,

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

  author       = {The Materials Project},

  abstractNote = {Er(CoB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are eight shorter (2.87 Å) and four longer (2.89 Å) Er–B bond lengths. Co+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Co–B bond distances ranging from 2.04–2.10 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Er3+, five equivalent Co+2.25+, and one B3- atom. The B–B bond length is 1.75 Å.},

  doi          = {10.17188/1678587},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1678587

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Materials Data on Er(CoB)2 by Materials Project

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Er(CoB)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Er–B bond lengths are 2.84 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of corner and edge-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.01 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Er3+ and four equivalent Co+1.50+ atoms.
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Materials Data on U(CoB)4 by Materials Project

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U(CoB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. U4+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are eight shorter (2.86 Å) and four longer (2.91 Å) U–B bond lengths. Co2+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are four shorter (2.07 Å) and one longer (2.10 Å) Co–B bond lengths. B3- is bonded in a 6-coordinate geometry to three equivalent U4+, five equivalent Co2+, and one B3- atom. The B–B bond length is 1.74 Å.
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NdCo4B4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Nd2+ is bonded in a 8-coordinate geometry to eight equivalent B+1.50- atoms. There are four shorter (2.82 Å) and four longer (2.83 Å) Nd–B bond lengths. Co1+ is bonded in a 4-coordinate geometry to five equivalent B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.00–2.49 Å. B+1.50- is bonded in a 5-coordinate geometry to two equivalent Nd2+, five equivalent Co1+, and one B+1.50- atom. The B–B bond length is 1.79 Å.
Materials Data on Pr(CoB)4 by Materials Project

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PrCo4B4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to eight equivalent B3- atoms. All Pr–B bond lengths are 2.82 Å. Co+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Co–B bond distances ranging from 1.99–2.48 Å. B3- is bonded in a 5-coordinate geometry to two equivalent Pr3+, five equivalent Co+2.25+, and one B3- atom. The B–B bond length is 1.79 Å.

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