Materials Data on Zr3(UGe2)2 by Materials Project

doi:10.17188/1758414

Title: Materials Data on Zr3(UGe2)2 by Materials Project

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Abstract

U2Zr3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.91–3.22 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.72–2.87 Å. In the second Zr site, Zr is bonded to six Ge atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Zr–Ge bond distances ranging from 2.84–2.92 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Zr, and one Ge atom. The Ge–Ge bond length is 2.82 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Zr, and one Ge atom. The Ge–Ge bond length is 2.77 Å.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1207452

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; Zr3(UGe2)2; Ge-U-Zr

OSTI Identifier:: 1758414

DOI:: https://doi.org/10.17188/1758414

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                    The Materials Project. Materials Data on Zr3(UGe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758414.

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                    The Materials Project. Materials Data on Zr3(UGe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758414

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                    The Materials Project. 2020.  
"Materials Data on Zr3(UGe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758414.  https://www.osti.gov/servlets/purl/1758414. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758414,

  title        = {Materials Data on Zr3(UGe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2Zr3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.91–3.22 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.72–2.87 Å. In the second Zr site, Zr is bonded to six Ge atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Zr–Ge bond distances ranging from 2.84–2.92 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Zr, and one Ge atom. The Ge–Ge bond length is 2.82 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Zr, and one Ge atom. The Ge–Ge bond length is 2.77 Å.},

  doi          = {10.17188/1758414},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1758414

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