Materials Data on Nd3U(ClO2)3 by Materials Project

doi:10.17188/1270377

Title: Materials Data on Nd3U(ClO2)3 by Materials Project

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Abstract

UNd3(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Nd3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.68 Å. There are a spread of Nd–Cl bond distances ranging from 3.01–3.11 Å. O2- is bonded to one U6+, three equivalent Nd3+, and two equivalent Cl1- atoms to form a mixture of distorted edge, corner, and face-sharing ONd3UCl2 tetrahedra. There are one shorter (3.06 Å) and one longer (3.07 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent O2- atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-558533

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; Nd3U(ClO2)3; Cl-Nd-O-U

OSTI Identifier:: 1270377

DOI:: https://doi.org/10.17188/1270377

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                    The Materials Project. Materials Data on Nd3U(ClO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270377.

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                    The Materials Project. Materials Data on Nd3U(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270377

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                    The Materials Project. 2020.  
"Materials Data on Nd3U(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270377.  https://www.osti.gov/servlets/purl/1270377. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1270377,

  title        = {Materials Data on Nd3U(ClO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UNd3(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Nd3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.68 Å. There are a spread of Nd–Cl bond distances ranging from 3.01–3.11 Å. O2- is bonded to one U6+, three equivalent Nd3+, and two equivalent Cl1- atoms to form a mixture of distorted edge, corner, and face-sharing ONd3UCl2 tetrahedra. There are one shorter (3.06 Å) and one longer (3.07 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent O2- atoms.},

  doi          = {10.17188/1270377},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270377

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