Materials Data on La3(GeRh)4 by Materials Project

doi:10.17188/1190991

Title: Materials Data on La3(GeRh)4 by Materials Project

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Abstract

La3Rh4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Rh and six Ge atoms. There are a spread of La–Rh bond distances ranging from 3.20–3.44 Å. There are two shorter (3.22 Å) and four longer (3.29 Å) La–Ge bond lengths. In the second La site, La is bonded to four equivalent Rh and eight equivalent Ge atoms to form a mixture of edge and face-sharing LaGe8Rh4 cuboctahedra. All La–Rh bond lengths are 3.31 Å. All La–Ge bond lengths are 3.25 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are two shorter (2.50 Å) and one longer (2.51 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded to four equivalent La and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing RhLa4Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.51 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-15009

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; La3(GeRh)4; Ge-La-Rh

OSTI Identifier:: 1190991

DOI:: https://doi.org/10.17188/1190991

Citation Formats


                    The Materials Project. Materials Data on La3(GeRh)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190991.

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                    The Materials Project. Materials Data on La3(GeRh)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190991

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                    The Materials Project. 2020.  
"Materials Data on La3(GeRh)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190991.  https://www.osti.gov/servlets/purl/1190991. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1190991,

  title        = {Materials Data on La3(GeRh)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Rh4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Rh and six Ge atoms. There are a spread of La–Rh bond distances ranging from 3.20–3.44 Å. There are two shorter (3.22 Å) and four longer (3.29 Å) La–Ge bond lengths. In the second La site, La is bonded to four equivalent Rh and eight equivalent Ge atoms to form a mixture of edge and face-sharing LaGe8Rh4 cuboctahedra. All La–Rh bond lengths are 3.31 Å. All La–Ge bond lengths are 3.25 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are two shorter (2.50 Å) and one longer (2.51 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded to four equivalent La and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing RhLa4Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.51 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six La, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La and five Rh atoms.},

  doi          = {10.17188/1190991},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1190991

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