Materials Data on K4SrU3O12 by Materials Project

doi:10.17188/1198841

Title: Materials Data on K4SrU3O12 by Materials Project

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Abstract

K4SrU3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, faces with two equivalent SrO6 octahedra, and faces with six equivalent UO6 octahedra. There are six shorter (3.10 Å) and six longer (3.11 Å) K–O bond lengths. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.44 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.19 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+, one Sr2+, and one U6+ atom. In the second O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-22634

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; K4SrU3O12; K-O-Sr-U

OSTI Identifier:: 1198841

DOI:: https://doi.org/10.17188/1198841

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                    The Materials Project. Materials Data on K4SrU3O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198841.

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                    The Materials Project. Materials Data on K4SrU3O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198841

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                    The Materials Project. 2020.  
"Materials Data on K4SrU3O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198841.  https://www.osti.gov/servlets/purl/1198841. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1198841,

  title        = {Materials Data on K4SrU3O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K4SrU3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, faces with two equivalent SrO6 octahedra, and faces with six equivalent UO6 octahedra. There are six shorter (3.10 Å) and six longer (3.11 Å) K–O bond lengths. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.44 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.19 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+, one Sr2+, and one U6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent U6+ atoms.},

  doi          = {10.17188/1198841},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198841

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