Materials Data on UMnO4 by Materials Project

doi:10.17188/1679863

Title: Materials Data on UMnO4 by Materials Project

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Abstract

MnUO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of U–O bond distances ranging from 1.98–2.18 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent UO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are two shorter (2.16 Å) and four longer (2.24 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+ and two equivalent Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-639978

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; UMnO4; Mn-O-U

OSTI Identifier:: 1679863

DOI:: https://doi.org/10.17188/1679863

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                    The Materials Project. Materials Data on UMnO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679863.

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                    The Materials Project. Materials Data on UMnO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679863

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                    The Materials Project. 2020.  
"Materials Data on UMnO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679863.  https://www.osti.gov/servlets/purl/1679863. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1679863,

  title        = {Materials Data on UMnO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnUO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of U–O bond distances ranging from 1.98–2.18 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent UO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are two shorter (2.16 Å) and four longer (2.24 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+ and two equivalent Mn2+ atoms.},

  doi          = {10.17188/1679863},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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