Materials Data on YbAlB4 by Materials Project

doi:10.17188/1727215

Title: Materials Data on YbAlB4 by Materials Project

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Abstract

YbAlB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Yb–B bond distances ranging from 2.63–2.74 Å. Al3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Al–B bond distances ranging from 2.26–2.37 Å. There are three 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 Yb3+, two equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.89 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Yb3+, four equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095659

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; YbAlB4; Al-B-Yb

OSTI Identifier:: 1727215

DOI:: https://doi.org/10.17188/1727215

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                    The Materials Project. Materials Data on YbAlB4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727215.

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                    The Materials Project. Materials Data on YbAlB4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727215

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                    The Materials Project. 2020.  
"Materials Data on YbAlB4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727215.  https://www.osti.gov/servlets/purl/1727215. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1727215,

  title        = {Materials Data on YbAlB4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbAlB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Yb–B bond distances ranging from 2.63–2.74 Å. Al3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Al–B bond distances ranging from 2.26–2.37 Å. There are three 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 Yb3+, two equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.89 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Yb3+, four equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.},

  doi          = {10.17188/1727215},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1727215

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