Materials Data on La2USe4 by Materials Project

doi:10.17188/1207023

Title: Materials Data on La2USe4 by Materials Project

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Abstract

ULa2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U3+ is bonded to eight equivalent Se2- atoms to form distorted USe8 hexagonal bipyramids that share corners with eight equivalent LaSe8 hexagonal bipyramids, edges with four equivalent USe8 hexagonal bipyramids, and faces with eight equivalent LaSe8 hexagonal bipyramids. There are four shorter (3.02 Å) and four longer (3.13 Å) U–Se bond lengths. La+2.50+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with four equivalent USe8 hexagonal bipyramids, corners with four equivalent LaSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, faces with four equivalent USe8 hexagonal bipyramids, and faces with four equivalent LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.23 Å. Se2- is bonded to two equivalent U3+ and four equivalent La+2.50+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa4U2 octahedra. The corner-sharing octahedra tilt angles range from 15–50°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-35651

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; La2USe4; La-Se-U

OSTI Identifier:: 1207023

DOI:: https://doi.org/10.17188/1207023

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                    The Materials Project. Materials Data on La2USe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207023.

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                    The Materials Project. Materials Data on La2USe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207023

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                    The Materials Project. 2020.  
"Materials Data on La2USe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207023.  https://www.osti.gov/servlets/purl/1207023. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1207023,

  title        = {Materials Data on La2USe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ULa2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U3+ is bonded to eight equivalent Se2- atoms to form distorted USe8 hexagonal bipyramids that share corners with eight equivalent LaSe8 hexagonal bipyramids, edges with four equivalent USe8 hexagonal bipyramids, and faces with eight equivalent LaSe8 hexagonal bipyramids. There are four shorter (3.02 Å) and four longer (3.13 Å) U–Se bond lengths. La+2.50+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with four equivalent USe8 hexagonal bipyramids, corners with four equivalent LaSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, faces with four equivalent USe8 hexagonal bipyramids, and faces with four equivalent LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.23 Å. Se2- is bonded to two equivalent U3+ and four equivalent La+2.50+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa4U2 octahedra. The corner-sharing octahedra tilt angles range from 15–50°.},

  doi          = {10.17188/1207023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1207023

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