Materials Data on Ca5Ge3 by Materials Project

doi:10.17188/1193544

Title: Materials Data on Ca5Ge3 by Materials Project

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Abstract

Ca5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Ge atoms. All Ca–Ge bond lengths are 3.09 Å. In the second Ca site, Ca is bonded to five Ge atoms to form a mixture of distorted corner, edge, and face-sharing CaGe5 trigonal bipyramids. There are a spread of Ca–Ge bond distances ranging from 3.05–3.28 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight equivalent Ca atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.59 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-1884

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; Ca5Ge3; Ca-Ge

OSTI Identifier:: 1193544

DOI:: https://doi.org/10.17188/1193544

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                    The Materials Project. Materials Data on Ca5Ge3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193544.

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                    The Materials Project. Materials Data on Ca5Ge3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193544

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                    The Materials Project. 2020.  
"Materials Data on Ca5Ge3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193544.  https://www.osti.gov/servlets/purl/1193544. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193544,

  title        = {Materials Data on Ca5Ge3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Ge atoms. All Ca–Ge bond lengths are 3.09 Å. In the second Ca site, Ca is bonded to five Ge atoms to form a mixture of distorted corner, edge, and face-sharing CaGe5 trigonal bipyramids. There are a spread of Ca–Ge bond distances ranging from 3.05–3.28 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight equivalent Ca atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.59 Å.},

  doi          = {10.17188/1193544},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193544

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