Materials Data on Li2MgCdP2 by Materials Project

doi:10.17188/1674677

Title: Materials Data on Li2MgCdP2 by Materials Project

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Abstract

Li2MgCdP2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to two equivalent Mg2+, two equivalent Cd2+, and four P3- atoms. Both Li–Mg bond lengths are 2.55 Å. Both Li–Cd bond lengths are 2.53 Å. There are two shorter (2.53 Å) and two longer (2.55 Å) Li–P bond lengths. Mg2+ is bonded in a 6-coordinate geometry to four equivalent Li1+ and six P3- atoms. There are two shorter (2.92 Å) and four longer (2.95 Å) Mg–P bond lengths. Cd2+ is bonded to four equivalent Li1+ and six P3- atoms to form distorted CdLi4P6 tetrahedra that share corners with four equivalent PLi4Mg4Cd2 tetrahedra, corners with six equivalent CdLi4P6 tetrahedra, edges with six PLi4Mg4Cd2 tetrahedra, and faces with four equivalent CdLi4P6 tetrahedra. There are two shorter (2.92 Å) and four longer (2.95 Å) Cd–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to four equivalent Li1+, four equivalent Mg2+, and two equivalent Cd2+ atoms to form distorted PLi4Mg4Cd2 tetrahedra that share corners with four equivalent CdLi4P6 tetrahedra, corners with six equivalent PLi4Mg4Cd2 tetrahedra, edges with two equivalent CdLi4P6 tetrahedra, and faces with twelve PLi4Mg4Cd2 tetrahedra.more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1222665

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; Li2MgCdP2; Cd-Li-Mg-P

OSTI Identifier:: 1674677

DOI:: https://doi.org/10.17188/1674677

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                    The Materials Project. Materials Data on Li2MgCdP2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1674677.

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                    The Materials Project. Materials Data on Li2MgCdP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674677

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                    The Materials Project. 2019.  
"Materials Data on Li2MgCdP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674677.  https://www.osti.gov/servlets/purl/1674677. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1674677,

  title        = {Materials Data on Li2MgCdP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2MgCdP2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to two equivalent Mg2+, two equivalent Cd2+, and four P3- atoms. Both Li–Mg bond lengths are 2.55 Å. Both Li–Cd bond lengths are 2.53 Å. There are two shorter (2.53 Å) and two longer (2.55 Å) Li–P bond lengths. Mg2+ is bonded in a 6-coordinate geometry to four equivalent Li1+ and six P3- atoms. There are two shorter (2.92 Å) and four longer (2.95 Å) Mg–P bond lengths. Cd2+ is bonded to four equivalent Li1+ and six P3- atoms to form distorted CdLi4P6 tetrahedra that share corners with four equivalent PLi4Mg4Cd2 tetrahedra, corners with six equivalent CdLi4P6 tetrahedra, edges with six PLi4Mg4Cd2 tetrahedra, and faces with four equivalent CdLi4P6 tetrahedra. There are two shorter (2.92 Å) and four longer (2.95 Å) Cd–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to four equivalent Li1+, four equivalent Mg2+, and two equivalent Cd2+ atoms to form distorted PLi4Mg4Cd2 tetrahedra that share corners with four equivalent CdLi4P6 tetrahedra, corners with six equivalent PLi4Mg4Cd2 tetrahedra, edges with two equivalent CdLi4P6 tetrahedra, and faces with twelve PLi4Mg4Cd2 tetrahedra. In the second P3- site, P3- is bonded to four equivalent Li1+, two equivalent Mg2+, and four equivalent Cd2+ atoms to form distorted PLi4Mg2Cd4 tetrahedra that share corners with six equivalent PLi4Mg2Cd4 tetrahedra, edges with four equivalent CdLi4P6 tetrahedra, and faces with twelve PLi4Mg4Cd2 tetrahedra.},

  doi          = {10.17188/1674677},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1674677

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