Materials Data on CaGe2 by Materials Project

doi:10.17188/1326268

Title: Materials Data on CaGe2 by Materials Project

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Abstract

CaGe2 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Ge atoms to form CaGe6 octahedra that share corners with six equivalent GeCa3Ge3 octahedra, edges with six equivalent CaGe6 octahedra, and edges with six equivalent GeCa3Ge3 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ca–Ge bond lengths are 3.06 Å. Ge is bonded to three equivalent Ca and three equivalent Ge atoms to form distorted GeCa3Ge3 octahedra that share corners with three equivalent CaGe6 octahedra, corners with three equivalent GeCa3Ge3 octahedra, edges with three equivalent CaGe6 octahedra, and edges with nine equivalent GeCa3Ge3 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. All Ge–Ge bond lengths are 2.57 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1009654

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; CaGe2; Ca-Ge

OSTI Identifier:: 1326268

DOI:: https://doi.org/10.17188/1326268

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                    The Materials Project. Materials Data on CaGe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1326268.

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                    The Materials Project. Materials Data on CaGe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1326268

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                    The Materials Project. 2020.  
"Materials Data on CaGe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1326268.  https://www.osti.gov/servlets/purl/1326268. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1326268,

  title        = {Materials Data on CaGe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaGe2 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Ge atoms to form CaGe6 octahedra that share corners with six equivalent GeCa3Ge3 octahedra, edges with six equivalent CaGe6 octahedra, and edges with six equivalent GeCa3Ge3 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ca–Ge bond lengths are 3.06 Å. Ge is bonded to three equivalent Ca and three equivalent Ge atoms to form distorted GeCa3Ge3 octahedra that share corners with three equivalent CaGe6 octahedra, corners with three equivalent GeCa3Ge3 octahedra, edges with three equivalent CaGe6 octahedra, and edges with nine equivalent GeCa3Ge3 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. All Ge–Ge bond lengths are 2.57 Å.},

  doi          = {10.17188/1326268},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1326268

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Materials Data on CaGe2 by Materials Project

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