Materials Data on GdCoB4 by Materials Project

doi:10.17188/1196503

Title: Materials Data on GdCoB4 by Materials Project

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Abstract

GdCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.59–2.72 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.20–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and one longer (1.73 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.82 Å.

Authors:: The Materials Project

Publication Date:: Tue May 09 00:00:00 EDT 2017

Other Number(s):: mp-21230

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; GdCoB4; B-Co-Gd

OSTI Identifier:: 1196503

DOI:: https://doi.org/10.17188/1196503

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                    The Materials Project. Materials Data on GdCoB4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1196503.

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                    The Materials Project. Materials Data on GdCoB4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196503

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                    The Materials Project. 2017.  
"Materials Data on GdCoB4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196503.  https://www.osti.gov/servlets/purl/1196503. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1196503,

  title        = {Materials Data on GdCoB4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GdCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.59–2.72 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.20–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and one longer (1.73 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.82 Å.},

  doi          = {10.17188/1196503},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 09 00:00:00 EDT 2017},

  month        = {Tue May 09 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1196503

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