Materials Data on Ca2(BeGe)3 by Materials Project

doi:10.17188/1666784

Title: Materials Data on Ca2(BeGe)3 by Materials Project

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Abstract

Ca2(BeGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ca2(BeGe)3 ribbon oriented in the (0, 0, 1) direction. Ca is bonded in a distorted linear geometry to one Be and one Ge atom. The Ca–Be bond length is 2.77 Å. The Ca–Ge bond length is 2.91 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded in a linear geometry to one Ca and one Ge atom. The Be–Ge bond length is 2.23 Å. In the second Be site, Be is bonded in a linear geometry to two equivalent Ge atoms. Both Be–Ge bond lengths are 2.21 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a linear geometry to two equivalent Be atoms. In the second Ge site, Ge is bonded in a distorted linear geometry to one Ca and one Be atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1214249

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; Ca2(BeGe)3; Be-Ca-Ge

OSTI Identifier:: 1666784

DOI:: https://doi.org/10.17188/1666784

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                    The Materials Project. Materials Data on Ca2(BeGe)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1666784.

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                    The Materials Project. Materials Data on Ca2(BeGe)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666784

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                    The Materials Project. 2019.  
"Materials Data on Ca2(BeGe)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666784.  https://www.osti.gov/servlets/purl/1666784. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1666784,

  title        = {Materials Data on Ca2(BeGe)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2(BeGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ca2(BeGe)3 ribbon oriented in the (0, 0, 1) direction. Ca is bonded in a distorted linear geometry to one Be and one Ge atom. The Ca–Be bond length is 2.77 Å. The Ca–Ge bond length is 2.91 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded in a linear geometry to one Ca and one Ge atom. The Be–Ge bond length is 2.23 Å. In the second Be site, Be is bonded in a linear geometry to two equivalent Ge atoms. Both Be–Ge bond lengths are 2.21 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a linear geometry to two equivalent Be atoms. In the second Ge site, Ge is bonded in a distorted linear geometry to one Ca and one Be atom.},

  doi          = {10.17188/1666784},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1666784

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