Materials Data on CaZnGe by Materials Project

doi:10.17188/1191706

Title: Materials Data on CaZnGe by Materials Project

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Abstract

CaZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing CaZn6Ge6 cuboctahedra. All Ca–Zn bond lengths are 3.23 Å. All Ca–Ge bond lengths are 3.23 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ca and three equivalent Zn atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-16263

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; CaZnGe; Ca-Ge-Zn

OSTI Identifier:: 1191706

DOI:: https://doi.org/10.17188/1191706

Citation Formats


                    The Materials Project. Materials Data on CaZnGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191706.

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                    The Materials Project. Materials Data on CaZnGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1191706

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                    The Materials Project. 2020.  
"Materials Data on CaZnGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1191706.  https://www.osti.gov/servlets/purl/1191706. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1191706,

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

  author       = {The Materials Project},

  abstractNote = {CaZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing CaZn6Ge6 cuboctahedra. All Ca–Zn bond lengths are 3.23 Å. All Ca–Ge bond lengths are 3.23 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ca and three equivalent Zn atoms.},

  doi          = {10.17188/1191706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191706

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