Materials Data on U2(GeRh)3 by Materials Project

doi:10.17188/1685570

Title: Materials Data on U2(GeRh)3 by Materials Project

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Abstract

U2(RhGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to four equivalent U, one Rh, and one Ge atom. All U–U bond lengths are 2.75 Å. The U–Rh bond length is 2.43 Å. The U–Ge bond length is 2.91 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to one U and one Ge atom. The Rh–Ge bond length is 2.56 Å. In the second Rh site, Rh is bonded in a distorted linear geometry to two equivalent Ge atoms. Both Rh–Ge bond lengths are 2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to one U, one Rh, and four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing GeUGe4Rh octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded to two equivalent Rh and four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing GeGe4Rh2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.75 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207318

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; U2(GeRh)3; Ge-Rh-U

OSTI Identifier:: 1685570

DOI:: https://doi.org/10.17188/1685570

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                    The Materials Project. Materials Data on U2(GeRh)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685570.

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                    The Materials Project. Materials Data on U2(GeRh)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685570

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                    The Materials Project. 2019.  
"Materials Data on U2(GeRh)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685570.  https://www.osti.gov/servlets/purl/1685570. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1685570,

  title        = {Materials Data on U2(GeRh)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2(RhGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to four equivalent U, one Rh, and one Ge atom. All U–U bond lengths are 2.75 Å. The U–Rh bond length is 2.43 Å. The U–Ge bond length is 2.91 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to one U and one Ge atom. The Rh–Ge bond length is 2.56 Å. In the second Rh site, Rh is bonded in a distorted linear geometry to two equivalent Ge atoms. Both Rh–Ge bond lengths are 2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to one U, one Rh, and four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing GeUGe4Rh octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded to two equivalent Rh and four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing GeGe4Rh2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.75 Å.},

  doi          = {10.17188/1685570},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685570

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