Materials Data on CaU2(PO2)2 by Materials Project

doi:10.17188/1674533

Title: Materials Data on CaU2(PO2)2 by Materials Project

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Abstract

CaU2(PO2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ca–O bond lengths are 2.12 Å. U6+ is bonded in a linear geometry to four equivalent P3- and two O2- atoms. All U–P bond lengths are 2.84 Å. There is one shorter (1.83 Å) and one longer (1.90 Å) U–O bond length. P3- is bonded in a rectangular see-saw-like geometry to four equivalent U6+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ca2+ and one U6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1078571

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; CaU2(PO2)2; Ca-O-P-U

OSTI Identifier:: 1674533

DOI:: https://doi.org/10.17188/1674533

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                    The Materials Project. Materials Data on CaU2(PO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674533.

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                    The Materials Project. Materials Data on CaU2(PO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674533

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                    The Materials Project. 2020.  
"Materials Data on CaU2(PO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674533.  https://www.osti.gov/servlets/purl/1674533. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1674533,

  title        = {Materials Data on CaU2(PO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaU2(PO2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ca–O bond lengths are 2.12 Å. U6+ is bonded in a linear geometry to four equivalent P3- and two O2- atoms. All U–P bond lengths are 2.84 Å. There is one shorter (1.83 Å) and one longer (1.90 Å) U–O bond length. P3- is bonded in a rectangular see-saw-like geometry to four equivalent U6+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ca2+ and one U6+ atom.},

  doi          = {10.17188/1674533},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674533

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