Materials Data on Rb2U(ClO)4 by Materials Project

doi:10.17188/1674724

Title: Materials Data on Rb2U(ClO)4 by Materials Project

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Abstract

Rb2U(OCl)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to four O and five Cl atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.25 Å. There are a spread of Rb–Cl bond distances ranging from 3.35–3.75 Å. U is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both U–O bond lengths are 1.82 Å. There are two shorter (2.64 Å) and two longer (2.70 Å) U–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one U atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to two equivalent Rb and one U atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to three equivalent Rb and one U atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1103676

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; Rb2U(ClO)4; Cl-O-Rb-U

OSTI Identifier:: 1674724

DOI:: https://doi.org/10.17188/1674724

Citation Formats


                    The Materials Project. Materials Data on Rb2U(ClO)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1674724.

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                    The Materials Project. Materials Data on Rb2U(ClO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674724

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                    The Materials Project. 2018.  
"Materials Data on Rb2U(ClO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674724.  https://www.osti.gov/servlets/purl/1674724. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1674724,

  title        = {Materials Data on Rb2U(ClO)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2U(OCl)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to four O and five Cl atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.25 Å. There are a spread of Rb–Cl bond distances ranging from 3.35–3.75 Å. U is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both U–O bond lengths are 1.82 Å. There are two shorter (2.64 Å) and two longer (2.70 Å) U–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one U atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to two equivalent Rb and one U atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to three equivalent Rb and one U atom.},

  doi          = {10.17188/1674724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1674724

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