Materials Data on LiCoAs by Materials Project

doi:10.17188/1195853

Title: Materials Data on LiCoAs by Materials Project

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Abstract

LiCoAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent As3- atoms to form distorted LiAs5 square pyramids that share corners with four equivalent LiAs5 square pyramids, corners with twelve equivalent CoAs4 tetrahedra, edges with eight equivalent LiAs5 square pyramids, and edges with four equivalent CoAs4 tetrahedra. There are one shorter (2.70 Å) and four longer (2.73 Å) Li–As bond lengths. Co2+ is bonded to four equivalent As3- atoms to form CoAs4 tetrahedra that share corners with twelve equivalent LiAs5 square pyramids, corners with four equivalent CoAs4 tetrahedra, edges with four equivalent LiAs5 square pyramids, and edges with four equivalent CoAs4 tetrahedra. All Co–As bond lengths are 2.35 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Co2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-20698

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; LiCoAs; As-Co-Li

OSTI Identifier:: 1195853

DOI:: https://doi.org/10.17188/1195853

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                    The Materials Project. Materials Data on LiCoAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195853.

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                    The Materials Project. Materials Data on LiCoAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1195853

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                    The Materials Project. 2020.  
"Materials Data on LiCoAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1195853.  https://www.osti.gov/servlets/purl/1195853. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195853,

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

  author       = {The Materials Project},

  abstractNote = {LiCoAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent As3- atoms to form distorted LiAs5 square pyramids that share corners with four equivalent LiAs5 square pyramids, corners with twelve equivalent CoAs4 tetrahedra, edges with eight equivalent LiAs5 square pyramids, and edges with four equivalent CoAs4 tetrahedra. There are one shorter (2.70 Å) and four longer (2.73 Å) Li–As bond lengths. Co2+ is bonded to four equivalent As3- atoms to form CoAs4 tetrahedra that share corners with twelve equivalent LiAs5 square pyramids, corners with four equivalent CoAs4 tetrahedra, edges with four equivalent LiAs5 square pyramids, and edges with four equivalent CoAs4 tetrahedra. All Co–As bond lengths are 2.35 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Co2+ atoms.},

  doi          = {10.17188/1195853},

  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/10.17188/1195853

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