Materials Data on LiTb3 by Materials Project

doi:10.17188/1663796

Title: Materials Data on LiTb3 by Materials Project

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Abstract

LiTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Tb atoms to form LiTb12 cuboctahedra that share corners with four equivalent LiTb12 cuboctahedra, corners with eight equivalent TbLi4Tb8 cuboctahedra, edges with eight equivalent LiTb12 cuboctahedra, edges with sixteen equivalent TbLi4Tb8 cuboctahedra, faces with four equivalent LiTb12 cuboctahedra, and faces with fourteen TbLi4Tb8 cuboctahedra. There are eight shorter (3.44 Å) and four longer (3.46 Å) Li–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Li and eight Tb atoms to form TbLi4Tb8 cuboctahedra that share corners with twelve equivalent TbLi4Tb8 cuboctahedra, edges with eight equivalent LiTb12 cuboctahedra, edges with sixteen TbLi4Tb8 cuboctahedra, faces with four equivalent LiTb12 cuboctahedra, and faces with fourteen TbLi4Tb8 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.46 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Li and eight equivalent Tb atoms to form TbLi4Tb8 cuboctahedra that share corners with four equivalent TbLi4Tb8 cuboctahedra, corners with eight equivalent LiTb12 cuboctahedra, edges with twenty-four TbLi4Tb8 cuboctahedra, faces with six equivalent LiTb12 cuboctahedra, and faces withmore » twelve TbLi4Tb8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1185471

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; LiTb3; Li-Tb

OSTI Identifier:: 1663796

DOI:: https://doi.org/10.17188/1663796

Citation Formats


                    The Materials Project. Materials Data on LiTb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663796.

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                    The Materials Project. Materials Data on LiTb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663796

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                    The Materials Project. 2020.  
"Materials Data on LiTb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663796.  https://www.osti.gov/servlets/purl/1663796. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1663796,

  title        = {Materials Data on LiTb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Tb atoms to form LiTb12 cuboctahedra that share corners with four equivalent LiTb12 cuboctahedra, corners with eight equivalent TbLi4Tb8 cuboctahedra, edges with eight equivalent LiTb12 cuboctahedra, edges with sixteen equivalent TbLi4Tb8 cuboctahedra, faces with four equivalent LiTb12 cuboctahedra, and faces with fourteen TbLi4Tb8 cuboctahedra. There are eight shorter (3.44 Å) and four longer (3.46 Å) Li–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Li and eight Tb atoms to form TbLi4Tb8 cuboctahedra that share corners with twelve equivalent TbLi4Tb8 cuboctahedra, edges with eight equivalent LiTb12 cuboctahedra, edges with sixteen TbLi4Tb8 cuboctahedra, faces with four equivalent LiTb12 cuboctahedra, and faces with fourteen TbLi4Tb8 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.46 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Li and eight equivalent Tb atoms to form TbLi4Tb8 cuboctahedra that share corners with four equivalent TbLi4Tb8 cuboctahedra, corners with eight equivalent LiTb12 cuboctahedra, edges with twenty-four TbLi4Tb8 cuboctahedra, faces with six equivalent LiTb12 cuboctahedra, and faces with twelve TbLi4Tb8 cuboctahedra.},

  doi          = {10.17188/1663796},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1663796

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