Materials Data on Pr2UP3 by Materials Project

doi:10.17188/1746826

Title: Materials Data on Pr2UP3 by Materials Project

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Abstract

UPr2P3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U3+ is bonded to six P3- atoms to form UP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with two equivalent UP6 octahedra, and edges with ten equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.80 Å) and two longer (2.91 Å) U–P bond lengths. Pr3+ is bonded to six P3- atoms to form PrP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with five equivalent UP6 octahedra, and edges with seven equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Pr–P bond distances ranging from 2.91–3.01 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharingmore »« less

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1219900

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; Pr2UP3; P-Pr-U

OSTI Identifier:: 1746826

DOI:: https://doi.org/10.17188/1746826

Citation Formats


                    The Materials Project. Materials Data on Pr2UP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746826.

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                    The Materials Project. Materials Data on Pr2UP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746826

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                    The Materials Project. 2020.  
"Materials Data on Pr2UP3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746826.  https://www.osti.gov/servlets/purl/1746826. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1746826,

  title        = {Materials Data on Pr2UP3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UPr2P3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U3+ is bonded to six P3- atoms to form UP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with two equivalent UP6 octahedra, and edges with ten equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.80 Å) and two longer (2.91 Å) U–P bond lengths. Pr3+ is bonded to six P3- atoms to form PrP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with five equivalent UP6 octahedra, and edges with seven equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Pr–P bond distances ranging from 2.91–3.01 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°.},

  doi          = {10.17188/1746826},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746826

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