Materials Data on CrRe13B6 by Materials Project

doi:10.17188/1651638

Title: Materials Data on CrRe13B6 by Materials Project

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Abstract

CrRe13B6 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent B atoms. All Cr–B bond lengths are 2.19 Å. There are five inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.26 Å) and two longer (2.61 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 2-coordinate geometry to two equivalent B atoms. Both Re–B bond lengths are 2.26 Å. In the third Re site, Re is bonded in a 3-coordinate geometry to three equivalent B atoms. All Re–B bond lengths are 2.24 Å. In the fourth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.17 Å) and two longer (2.22 Å) Re–B bond lengths. In the fifth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.20 Å) and two longer (2.25 Å) Re–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Re atoms. In the secondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1226393

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; CrRe13B6; B-Cr-Re

OSTI Identifier:: 1651638

DOI:: https://doi.org/10.17188/1651638

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                    The Materials Project. Materials Data on CrRe13B6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651638.

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                    The Materials Project. Materials Data on CrRe13B6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651638

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                    The Materials Project. 2020.  
"Materials Data on CrRe13B6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651638.  https://www.osti.gov/servlets/purl/1651638. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1651638,

  title        = {Materials Data on CrRe13B6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrRe13B6 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent B atoms. All Cr–B bond lengths are 2.19 Å. There are five inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.26 Å) and two longer (2.61 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 2-coordinate geometry to two equivalent B atoms. Both Re–B bond lengths are 2.26 Å. In the third Re site, Re is bonded in a 3-coordinate geometry to three equivalent B atoms. All Re–B bond lengths are 2.24 Å. In the fourth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.17 Å) and two longer (2.22 Å) Re–B bond lengths. In the fifth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.20 Å) and two longer (2.25 Å) Re–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Re atoms. In the second B site, B is bonded in a 6-coordinate geometry to one Cr and seven Re atoms.},

  doi          = {10.17188/1651638},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1651638

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