Materials Data on MnBe2 by Materials Project

doi:10.17188/1187692

Title: Materials Data on MnBe2 by Materials Project

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Abstract

Be2Mn is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. All Be–Be bond lengths are 2.08 Å. All Be–Mn bond lengths are 2.43 Å. In the second Be site, Be is bonded to six Be and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. There are two shorter (2.03 Å) and two longer (2.12 Å) Be–Be bond lengths. There are two shorter (2.40 Å) and four longer (2.44 Å) Be–Mn bond lengths. Mn is bonded in a 12-coordinate geometry to twelve Be and four equivalent Mn atoms. There are three shorter (2.53 Å) and one longer (2.56 Å) Mn–Mn bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-11270

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; MnBe2; Be-Mn

OSTI Identifier:: 1187692

DOI:: https://doi.org/10.17188/1187692

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                    The Materials Project. Materials Data on MnBe2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1187692.

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                    The Materials Project. Materials Data on MnBe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187692

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                    The Materials Project. 2017.  
"Materials Data on MnBe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187692.  https://www.osti.gov/servlets/purl/1187692. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1187692,

  title        = {Materials Data on MnBe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be2Mn is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. All Be–Be bond lengths are 2.08 Å. All Be–Mn bond lengths are 2.43 Å. In the second Be site, Be is bonded to six Be and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. There are two shorter (2.03 Å) and two longer (2.12 Å) Be–Be bond lengths. There are two shorter (2.40 Å) and four longer (2.44 Å) Be–Mn bond lengths. Mn is bonded in a 12-coordinate geometry to twelve Be and four equivalent Mn atoms. There are three shorter (2.53 Å) and one longer (2.56 Å) Mn–Mn bond lengths.},

  doi          = {10.17188/1187692},

  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/10.17188/1187692

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