Materials Data on K4UO5 by Materials Project

doi:10.17188/1312717

Title: Materials Data on K4UO5 by Materials Project

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Abstract

K4UO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with two equivalent UO6 octahedra, edges with three equivalent UO6 octahedra, and edges with seven KO6 octahedra. The corner-sharing octahedra tilt angles range from 4–25°. There are a spread of K–O bond distances ranging from 2.67–3.14 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with three equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with five KO6 octahedra. The corner-sharing octahedra tilt angles range from 2–24°. There are a spread of K–O bond distances ranging from 2.67–3.22 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.87 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.37 Å.more »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-8794

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; K4UO5; K-O-U

OSTI Identifier:: 1312717

DOI:: https://doi.org/10.17188/1312717

Citation Formats


                    The Materials Project. Materials Data on K4UO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312717.

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                    The Materials Project. Materials Data on K4UO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312717

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                    The Materials Project. 2020.  
"Materials Data on K4UO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312717.  https://www.osti.gov/servlets/purl/1312717. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1312717,

  title        = {Materials Data on K4UO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K4UO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with two equivalent UO6 octahedra, edges with three equivalent UO6 octahedra, and edges with seven KO6 octahedra. The corner-sharing octahedra tilt angles range from 4–25°. There are a spread of K–O bond distances ranging from 2.67–3.14 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with three equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with five KO6 octahedra. The corner-sharing octahedra tilt angles range from 2–24°. There are a spread of K–O bond distances ranging from 2.67–3.22 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.87 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.37 Å. In the fifth K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with four KO6 octahedra, edges with four equivalent UO6 octahedra, and edges with six KO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are two shorter (2.70 Å) and four longer (2.76 Å) K–O bond lengths. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five KO6 octahedra, an edgeedge with one UO6 octahedra, and edges with seven KO6 octahedra. The corner-sharing octahedra tilt angles range from 2–17°. There are a spread of U–O bond distances ranging from 2.04–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent U6+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom.},

  doi          = {10.17188/1312717},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1312717

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