Materials Data on KU2SbSe8 by Materials Project

doi:10.17188/1746460

Title: Materials Data on KU2SbSe8 by Materials Project

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Abstract

KU2SbSe8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 2.84–3.45 Å. In the second K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 2.84–3.43 Å. There are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.02 Å. In the second U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.02 Å. In the third U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.01 Å. In the fourth U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.01 Å. There are two inequivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1223557

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; KU2SbSe8; K-Sb-Se-U

OSTI Identifier:: 1746460

DOI:: https://doi.org/10.17188/1746460

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                    The Materials Project. Materials Data on KU2SbSe8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746460.

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                    The Materials Project. Materials Data on KU2SbSe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746460

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                    The Materials Project. 2020.  
"Materials Data on KU2SbSe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746460.  https://www.osti.gov/servlets/purl/1746460. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746460,

  title        = {Materials Data on KU2SbSe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KU2SbSe8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 2.84–3.45 Å. In the second K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 2.84–3.43 Å. There are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.02 Å. In the second U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.02 Å. In the third U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.01 Å. In the fourth U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.01 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 1-coordinate geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 1.99–3.35 Å. In the second Sb3+ site, Sb3+ is bonded in a 1-coordinate geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 1.99–3.35 Å. There are sixteen inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the second Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to two U6+ and one Sb3+ atom. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to one K1+, two U6+, and one Sb3+ atom. In the fifth Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the sixth Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the seventh Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the eighth Se2- site, Se2- is bonded in a 1-coordinate geometry to one K1+, two U6+, and one Sb3+ atom. In the ninth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom. In the tenth Se2- site, Se2- is bonded in a distorted single-bond geometry to two U6+ and one Sb3+ atom. In the eleventh Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the twelfth Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the thirteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the fourteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom. In the fifteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom. In the sixteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom.},

  doi          = {10.17188/1746460},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746460

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