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.

Publication Date:: 2020-07-23

Other Number(s):: mp-1009654

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ca-Ge; CaGe2; crystal structure

OSTI Identifier:: 1326268

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

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

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

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                    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 04:00:00 UTC 2020

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@article{osti_1326268,

  title        = {Materials Data on CaGe2 by 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         = {2020},

  month        = {7}

}

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

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