Materials Data on Ca3Ge4 by Materials Project

doi:10.17188/1672267

Title: Materials Data on Ca3Ge4 by Materials Project

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Abstract

Ca3Ge4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.00–3.48 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to eleven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.04–3.40 Å. In the third Ca site, Ca is bonded in an octahedral geometry to six equivalent Ge atoms. All Ca–Ge bond lengths are 3.15 Å. In the fourth Ca site, Ca is bonded in a distorted trigonal planar geometry to nine Ge atoms. There are three shorter (3.02 Å) and six longer (3.52 Å) Ca–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to seven Ca and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.53 Å. In the third Ge site, Ge is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1204241

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; Ca3Ge4; Ca-Ge

OSTI Identifier:: 1672267

DOI:: https://doi.org/10.17188/1672267

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                    The Materials Project. Materials Data on Ca3Ge4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672267.

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                    The Materials Project. Materials Data on Ca3Ge4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672267

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                    The Materials Project. 2020.  
"Materials Data on Ca3Ge4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672267.  https://www.osti.gov/servlets/purl/1672267. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1672267,

  title        = {Materials Data on Ca3Ge4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3Ge4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.00–3.48 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to eleven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.04–3.40 Å. In the third Ca site, Ca is bonded in an octahedral geometry to six equivalent Ge atoms. All Ca–Ge bond lengths are 3.15 Å. In the fourth Ca site, Ca is bonded in a distorted trigonal planar geometry to nine Ge atoms. There are three shorter (3.02 Å) and six longer (3.52 Å) Ca–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to seven Ca and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.53 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to seven Ca and two Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Ca and three Ge atoms.},

  doi          = {10.17188/1672267},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1672267

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