Materials Data on KTl by Materials Project

doi:10.17188/1309917

Title: Materials Data on KTl by Materials Project

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Abstract

KTl crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent Tl atoms. There are two shorter (3.75 Å) and two longer (3.81 Å) K–Tl bond lengths. In the second K site, K is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of K–Tl bond distances ranging from 3.71–3.93 Å. In the third K site, K is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of K–Tl bond distances ranging from 3.70–4.06 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 8-coordinate geometry to four K and four equivalent Tl atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 8-coordinate geometry to six K and two equivalent Tl atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-863730

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; KTl; K-Tl

OSTI Identifier:: 1309917

DOI:: https://doi.org/10.17188/1309917

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                    The Materials Project. Materials Data on KTl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309917.

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                    The Materials Project. Materials Data on KTl by Materials Project.  United States.  doi:https://doi.org/10.17188/1309917

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                    The Materials Project. 2020.  
"Materials Data on KTl by Materials Project".  United States.  doi:https://doi.org/10.17188/1309917.  https://www.osti.gov/servlets/purl/1309917. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1309917,

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

  author       = {The Materials Project},

  abstractNote = {KTl crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent Tl atoms. There are two shorter (3.75 Å) and two longer (3.81 Å) K–Tl bond lengths. In the second K site, K is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of K–Tl bond distances ranging from 3.71–3.93 Å. In the third K site, K is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of K–Tl bond distances ranging from 3.70–4.06 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 8-coordinate geometry to four K and four equivalent Tl atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 8-coordinate geometry to six K and two equivalent Tl atoms.},

  doi          = {10.17188/1309917},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1309917

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