Materials Data on K3U3Si2O13 by Materials Project

doi:10.17188/1270279

Title: Materials Data on K3U3Si2O13 by Materials Project

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Abstract

K3U3Si2O13 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.93–3.35 Å. U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent UO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 5–36°. There are a spread of U–O bond distances ranging from 2.12–2.22 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent UO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 25°. There is three shorter (1.63 Å) and one longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three equivalent K1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one U5+, and one Si4+ atom. In themore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-558320

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; K3U3Si2O13; K-O-Si-U

OSTI Identifier:: 1270279

DOI:: https://doi.org/10.17188/1270279

Citation Formats


                    The Materials Project. Materials Data on K3U3Si2O13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270279.

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                    The Materials Project. Materials Data on K3U3Si2O13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270279

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                    The Materials Project. 2020.  
"Materials Data on K3U3Si2O13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270279.  https://www.osti.gov/servlets/purl/1270279. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1270279,

  title        = {Materials Data on K3U3Si2O13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3U3Si2O13 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.93–3.35 Å. U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent UO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 5–36°. There are a spread of U–O bond distances ranging from 2.12–2.22 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent UO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 25°. There is three shorter (1.63 Å) and one longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three equivalent K1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one U5+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent U5+ atoms.},

  doi          = {10.17188/1270279},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270279

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