Materials Data on LaCe(SnRu)2 by Materials Project

doi:10.17188/1652663

Title: Materials Data on LaCe(SnRu)2 by Materials Project

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Abstract

CeLa(RuSn)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and seven Sn atoms. There are one shorter (2.57 Å) and one longer (2.66 Å) Ce–Ru bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.47–3.59 Å. La is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and seven Sn atoms. Both La–Ru bond lengths are 2.66 Å. There are a spread of La–Sn bond distances ranging from 3.46–3.58 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 2-coordinate geometry to two equivalent Ce and three Sn atoms. There are two shorter (2.68 Å) and one longer (2.88 Å) Ru–Sn bond lengths. In the second Ru site, Ru is bonded in a 2-coordinate geometry to two equivalent La and three Sn atoms. There are two shorter (2.71 Å) and one longer (2.79 Å) Ru–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent La, three Ru, and two equivalent Sn atoms. Theremore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1223031

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; LaCe(SnRu)2; Ce-La-Ru-Sn

OSTI Identifier:: 1652663

DOI:: https://doi.org/10.17188/1652663

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                    The Materials Project. Materials Data on LaCe(SnRu)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1652663.

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                    The Materials Project. Materials Data on LaCe(SnRu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652663

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                    The Materials Project. 2019.  
"Materials Data on LaCe(SnRu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652663.  https://www.osti.gov/servlets/purl/1652663. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1652663,

  title        = {Materials Data on LaCe(SnRu)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeLa(RuSn)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and seven Sn atoms. There are one shorter (2.57 Å) and one longer (2.66 Å) Ce–Ru bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.47–3.59 Å. La is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and seven Sn atoms. Both La–Ru bond lengths are 2.66 Å. There are a spread of La–Sn bond distances ranging from 3.46–3.58 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 2-coordinate geometry to two equivalent Ce and three Sn atoms. There are two shorter (2.68 Å) and one longer (2.88 Å) Ru–Sn bond lengths. In the second Ru site, Ru is bonded in a 2-coordinate geometry to two equivalent La and three Sn atoms. There are two shorter (2.71 Å) and one longer (2.79 Å) Ru–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent La, three Ru, and two equivalent Sn atoms. There are one shorter (3.12 Å) and one longer (3.35 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ce, three equivalent La, three Ru, and two equivalent Sn atoms.},

  doi          = {10.17188/1652663},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1652663

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