Materials Data on CuGe2P3 by Materials Project

doi:10.17188/1652377

Title: Materials Data on CuGe2P3 by Materials Project

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Abstract

CuGe2P3 crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one CuGe2P3 sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded in a bent 150 degrees geometry to two equivalent P3- atoms. Both Cu–P bond lengths are 2.13 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.40 Å) Ge–P bond lengths. In the second Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. All Ge–P bond lengths are 2.40 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded to four Ge4+ atoms to form corner-sharing PGe4 tetrahedra. In the second P3- site, P3- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the third P3- site, P3- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form distorted corner-sharing PCu2Ge2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1225735

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:: 1652377

DOI:: https://doi.org/10.17188/1652377

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                    The Materials Project. Materials Data on CuGe2P3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652377.

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                    The Materials Project. Materials Data on CuGe2P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652377

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                    The Materials Project. 2020.  
"Materials Data on CuGe2P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652377.  https://www.osti.gov/servlets/purl/1652377. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1652377,

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

  author       = {The Materials Project},

  abstractNote = {CuGe2P3 crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one CuGe2P3 sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded in a bent 150 degrees geometry to two equivalent P3- atoms. Both Cu–P bond lengths are 2.13 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.40 Å) Ge–P bond lengths. In the second Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. All Ge–P bond lengths are 2.40 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded to four Ge4+ atoms to form corner-sharing PGe4 tetrahedra. In the second P3- site, P3- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the third P3- site, P3- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form distorted corner-sharing PCu2Ge2 tetrahedra.},

  doi          = {10.17188/1652377},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652377

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