Materials Data on CuGe2P3 by Materials Project

doi:10.17188/1678983

Title: Materials Data on CuGe2P3 by Materials Project

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Abstract

CuGe2P3 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Cu1+ is bonded to four P3- atoms to form CuP4 trigonal pyramids that share corners with six GeP4 tetrahedra and corners with six equivalent CuP4 trigonal pyramids. There are three shorter (2.27 Å) and one longer (2.30 Å) Cu–P bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with nine GeP4 tetrahedra and corners with three equivalent CuP4 trigonal pyramids. All Ge–P bond lengths are 2.42 Å. In the second Ge4+ site, Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with nine GeP4 tetrahedra and corners with three equivalent CuP4 trigonal pyramids. There are one shorter (2.27 Å) and three longer (2.44 Å) Ge–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded to one Cu1+ and three equivalent Ge4+ atoms to form PCuGe3 tetrahedra that share corners with nine PCuGe3 tetrahedra and corners with three equivalent PCu3Ge trigonal pyramids. In the second P3- site, P3- is bonded to four Ge4+ atoms tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1225680

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; CuGe2P3; Cu-Ge-P

OSTI Identifier:: 1678983

DOI:: https://doi.org/10.17188/1678983

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                    The Materials Project. Materials Data on CuGe2P3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678983.

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                    The Materials Project. Materials Data on CuGe2P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678983

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                    The Materials Project. 2020.  
"Materials Data on CuGe2P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678983.  https://www.osti.gov/servlets/purl/1678983. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678983,

  title        = {Materials Data on CuGe2P3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuGe2P3 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Cu1+ is bonded to four P3- atoms to form CuP4 trigonal pyramids that share corners with six GeP4 tetrahedra and corners with six equivalent CuP4 trigonal pyramids. There are three shorter (2.27 Å) and one longer (2.30 Å) Cu–P bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with nine GeP4 tetrahedra and corners with three equivalent CuP4 trigonal pyramids. All Ge–P bond lengths are 2.42 Å. In the second Ge4+ site, Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with nine GeP4 tetrahedra and corners with three equivalent CuP4 trigonal pyramids. There are one shorter (2.27 Å) and three longer (2.44 Å) Ge–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded to one Cu1+ and three equivalent Ge4+ atoms to form PCuGe3 tetrahedra that share corners with nine PCuGe3 tetrahedra and corners with three equivalent PCu3Ge trigonal pyramids. In the second P3- site, P3- is bonded to four Ge4+ atoms to form PGe4 tetrahedra that share corners with nine PCuGe3 tetrahedra and corners with three equivalent PCu3Ge trigonal pyramids. In the third P3- site, P3- is bonded to three equivalent Cu1+ and one Ge4+ atom to form PCu3Ge trigonal pyramids that share corners with six PCuGe3 tetrahedra and corners with six equivalent PCu3Ge trigonal pyramids.},

  doi          = {10.17188/1678983},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678983

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