Materials Data on B4Rh5 by Materials Project

doi:10.17188/1274132

Title: Materials Data on B4Rh5 by Materials Project

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Abstract

Rh5B4 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Rh5B4 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six B atoms. There are three shorter (2.17 Å) and three longer (2.31 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent B atoms. All Rh–B bond lengths are 2.08 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to six equivalent B atoms. All Rh–B bond lengths are 2.22 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Rh and one B atom. The B–B bond length is 2.27 Å. In the second B site, B is bonded in a 6-coordinate geometry to six Rh and two B atoms. The B–B bond length is 2.21 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-567926

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; B4Rh5; B-Rh

OSTI Identifier:: 1274132

DOI:: https://doi.org/10.17188/1274132

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                    The Materials Project. Materials Data on B4Rh5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274132.

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                    The Materials Project. Materials Data on B4Rh5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274132

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                    The Materials Project. 2020.  
"Materials Data on B4Rh5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274132.  https://www.osti.gov/servlets/purl/1274132. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1274132,

  title        = {Materials Data on B4Rh5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rh5B4 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Rh5B4 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six B atoms. There are three shorter (2.17 Å) and three longer (2.31 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent B atoms. All Rh–B bond lengths are 2.08 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to six equivalent B atoms. All Rh–B bond lengths are 2.22 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Rh and one B atom. The B–B bond length is 2.27 Å. In the second B site, B is bonded in a 6-coordinate geometry to six Rh and two B atoms. The B–B bond length is 2.21 Å.},

  doi          = {10.17188/1274132},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274132

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