Materials Data on Li2CeP2 by Materials Project

doi:10.17188/1316973

Title: Materials Data on Li2CeP2 by Materials Project

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Abstract

Li2CeP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with six equivalent CeP6 octahedra, corners with six equivalent LiP4 tetrahedra, edges with three equivalent CeP6 octahedra, and edges with three equivalent LiP4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–57°. There are three shorter (2.59 Å) and one longer (2.60 Å) Li–P bond lengths. Ce4+ is bonded to six equivalent P3- atoms to form CeP6 octahedra that share corners with twelve equivalent LiP4 tetrahedra, edges with six equivalent CeP6 octahedra, and edges with six equivalent LiP4 tetrahedra. All Ce–P bond lengths are 2.85 Å. P3- is bonded to four equivalent Li1+ and three equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing PLi4Ce3 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-9912

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; Li2CeP2; Ce-Li-P

OSTI Identifier:: 1316973

DOI:: https://doi.org/10.17188/1316973

Citation Formats


                    The Materials Project. Materials Data on Li2CeP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316973.

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                    The Materials Project. Materials Data on Li2CeP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316973

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                    The Materials Project. 2020.  
"Materials Data on Li2CeP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316973.  https://www.osti.gov/servlets/purl/1316973. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1316973,

  title        = {Materials Data on Li2CeP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2CeP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with six equivalent CeP6 octahedra, corners with six equivalent LiP4 tetrahedra, edges with three equivalent CeP6 octahedra, and edges with three equivalent LiP4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–57°. There are three shorter (2.59 Å) and one longer (2.60 Å) Li–P bond lengths. Ce4+ is bonded to six equivalent P3- atoms to form CeP6 octahedra that share corners with twelve equivalent LiP4 tetrahedra, edges with six equivalent CeP6 octahedra, and edges with six equivalent LiP4 tetrahedra. All Ce–P bond lengths are 2.85 Å. P3- is bonded to four equivalent Li1+ and three equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing PLi4Ce3 pentagonal bipyramids.},

  doi          = {10.17188/1316973},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316973

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