Materials Data on KLa2Ag3Te8 by Materials Project

doi:10.17188/1743942

Title: Materials Data on KLa2Ag3Te8 by Materials Project

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Abstract

KLa2Ag3Te8 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one KLa2Ag3Te8 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.57–3.81 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.43 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.41 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to six Ag1+ and four Te+1.25- atoms. There are two shorter (2.99 Å) and four longer (3.15 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.87–3.04 Å. In the second Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to six Ag1+ and four Te+1.25- atoms. Both Ag–Ag bond lengths are 3.00 Å. There are a spread of Ag–Te bond distances ranging from 2.88–3.04 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1211557

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; KLa2Ag3Te8; Ag-K-La-Te

OSTI Identifier:: 1743942

DOI:: https://doi.org/10.17188/1743942

Citation Formats


                    The Materials Project. Materials Data on KLa2Ag3Te8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743942.

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                    The Materials Project. Materials Data on KLa2Ag3Te8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743942

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                    The Materials Project. 2020.  
"Materials Data on KLa2Ag3Te8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743942.  https://www.osti.gov/servlets/purl/1743942. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1743942,

  title        = {Materials Data on KLa2Ag3Te8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KLa2Ag3Te8 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one KLa2Ag3Te8 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.57–3.81 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.43 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.41 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to six Ag1+ and four Te+1.25- atoms. There are two shorter (2.99 Å) and four longer (3.15 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.87–3.04 Å. In the second Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to six Ag1+ and four Te+1.25- atoms. Both Ag–Ag bond lengths are 3.00 Å. There are a spread of Ag–Te bond distances ranging from 2.88–3.04 Å. In the third Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four equivalent Te+1.25- atoms. There are two shorter (3.14 Å) and two longer (3.15 Å) Ag–Te bond lengths. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 8-coordinate geometry to four equivalent K1+ and four Ag1+ atoms. In the second Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent La3+ and four equivalent Te+1.25- atoms. All Te–Te bond lengths are 3.15 Å. In the third Te+1.25- site, Te+1.25- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent La3+, and four equivalent Te+1.25- atoms. All Te–Te bond lengths are 3.15 Å. In the fourth Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent La3+ and four equivalent Te+1.25- atoms. In the fifth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five La3+ atoms. In the sixth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five La3+ atoms. In the seventh Te+1.25- site, Te+1.25- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent La3+, and four equivalent Te+1.25- atoms. In the eighth Te+1.25- site, Te+1.25- is bonded in a 8-coordinate geometry to eight Ag1+ atoms.},

  doi          = {10.17188/1743942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743942

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