Materials Data on Ce2Ni5B4 by Materials Project

doi:10.17188/1683737

Title: Materials Data on Ce2Ni5B4 by Materials Project

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Abstract

Ce2Ni5B4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 1-coordinate geometry to five B3- atoms. There are three shorter (2.85 Å) and two longer (2.91 Å) Ce–B bond lengths. There are two inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.19 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.03 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 6-coordinate geometry to two equivalent Ce3+, five Ni+1.20+, and one B3- atom. The B–B bond length is 1.67 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ce3+, four equivalent Ni+1.20+, and two B3- atoms. The B–B bond length is 1.78 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1095458

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; Ce2Ni5B4; B-Ce-Ni

OSTI Identifier:: 1683737

DOI:: https://doi.org/10.17188/1683737

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                    The Materials Project. Materials Data on Ce2Ni5B4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683737.

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                    The Materials Project. Materials Data on Ce2Ni5B4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683737

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                    The Materials Project. 2020.  
"Materials Data on Ce2Ni5B4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683737.  https://www.osti.gov/servlets/purl/1683737. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1683737,

  title        = {Materials Data on Ce2Ni5B4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2Ni5B4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 1-coordinate geometry to five B3- atoms. There are three shorter (2.85 Å) and two longer (2.91 Å) Ce–B bond lengths. There are two inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.19 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.03 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 6-coordinate geometry to two equivalent Ce3+, five Ni+1.20+, and one B3- atom. The B–B bond length is 1.67 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ce3+, four equivalent Ni+1.20+, and two B3- atoms. The B–B bond length is 1.78 Å.},

  doi          = {10.17188/1683737},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1683737

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