Materials Data on LiTm3 by Materials Project

doi:10.17188/1314856

Title: Materials Data on LiTm3 by Materials Project

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Abstract

LiTm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Tm atoms to form LiTm12 cuboctahedra that share corners with six equivalent LiTm12 cuboctahedra, corners with twelve equivalent TmLi4Tm8 cuboctahedra, edges with eighteen equivalent TmLi4Tm8 cuboctahedra, faces with eight equivalent LiTm12 cuboctahedra, and faces with twelve equivalent TmLi4Tm8 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.45 Å) Li–Tm bond lengths. Tm is bonded to four equivalent Li and eight equivalent Tm atoms to form distorted TmLi4Tm8 cuboctahedra that share corners with four equivalent LiTm12 cuboctahedra, corners with fourteen equivalent TmLi4Tm8 cuboctahedra, edges with six equivalent LiTm12 cuboctahedra, edges with twelve equivalent TmLi4Tm8 cuboctahedra, faces with four equivalent LiTm12 cuboctahedra, and faces with sixteen equivalent TmLi4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.39–3.48 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-975649

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; LiTm3; Li-Tm

OSTI Identifier:: 1314856

DOI:: https://doi.org/10.17188/1314856

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                    The Materials Project. Materials Data on LiTm3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314856.

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                    The Materials Project. Materials Data on LiTm3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314856

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                    The Materials Project. 2020.  
"Materials Data on LiTm3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314856.  https://www.osti.gov/servlets/purl/1314856. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1314856,

  title        = {Materials Data on LiTm3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiTm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Tm atoms to form LiTm12 cuboctahedra that share corners with six equivalent LiTm12 cuboctahedra, corners with twelve equivalent TmLi4Tm8 cuboctahedra, edges with eighteen equivalent TmLi4Tm8 cuboctahedra, faces with eight equivalent LiTm12 cuboctahedra, and faces with twelve equivalent TmLi4Tm8 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.45 Å) Li–Tm bond lengths. Tm is bonded to four equivalent Li and eight equivalent Tm atoms to form distorted TmLi4Tm8 cuboctahedra that share corners with four equivalent LiTm12 cuboctahedra, corners with fourteen equivalent TmLi4Tm8 cuboctahedra, edges with six equivalent LiTm12 cuboctahedra, edges with twelve equivalent TmLi4Tm8 cuboctahedra, faces with four equivalent LiTm12 cuboctahedra, and faces with sixteen equivalent TmLi4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.39–3.48 Å.},

  doi          = {10.17188/1314856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1314856

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