Materials Data on LiTl by Materials Project

doi:10.17188/1696417

Title: Materials Data on LiTl by Materials Project

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Abstract

LiTl crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to two equivalent Li and six Tl atoms. Both Li–Li bond lengths are 2.87 Å. There are a spread of Li–Tl bond distances ranging from 2.86–3.27 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four Li and four Tl atoms. Both Li–Li bond lengths are 2.91 Å. There are two shorter (2.92 Å) and two longer (3.09 Å) Li–Tl bond lengths. In the third Li site, Li is bonded in a 9-coordinate geometry to two equivalent Li and seven Tl atoms. There are a spread of Li–Tl bond distances ranging from 2.84–3.08 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 7-coordinate geometry to seven Li atoms. In the second Tl site, Tl is bonded in a 5-coordinate geometry to five Li atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1191883

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; LiTl; Li-Tl

OSTI Identifier:: 1696417

DOI:: https://doi.org/10.17188/1696417

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                    The Materials Project. Materials Data on LiTl by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1696417.

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                    The Materials Project. Materials Data on LiTl by Materials Project.  United States.  doi:https://doi.org/10.17188/1696417

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                    The Materials Project. 2019.  
"Materials Data on LiTl by Materials Project".  United States.  doi:https://doi.org/10.17188/1696417.  https://www.osti.gov/servlets/purl/1696417. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1696417,

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

  author       = {The Materials Project},

  abstractNote = {LiTl crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to two equivalent Li and six Tl atoms. Both Li–Li bond lengths are 2.87 Å. There are a spread of Li–Tl bond distances ranging from 2.86–3.27 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four Li and four Tl atoms. Both Li–Li bond lengths are 2.91 Å. There are two shorter (2.92 Å) and two longer (3.09 Å) Li–Tl bond lengths. In the third Li site, Li is bonded in a 9-coordinate geometry to two equivalent Li and seven Tl atoms. There are a spread of Li–Tl bond distances ranging from 2.84–3.08 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 7-coordinate geometry to seven Li atoms. In the second Tl site, Tl is bonded in a 5-coordinate geometry to five Li atoms.},

  doi          = {10.17188/1696417},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1696417

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