Materials Data on La2Sn5 by Materials Project

doi:10.17188/1728838

Title: Materials Data on La2Sn5 by Materials Project

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Abstract

La2Sn5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.30–3.60 Å. In the second La site, La is bonded to twelve Sn atoms to form a mixture of face and corner-sharing LaSn12 cuboctahedra. There are a spread of La–Sn bond distances ranging from 3.34–3.45 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.12 Å. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four La and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.34 Å. In the third Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four La and six Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four equivalent La and two equivalent Sn atoms. In the fifth Sn site, Snmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1105069

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; La2Sn5; La-Sn

OSTI Identifier:: 1728838

DOI:: https://doi.org/10.17188/1728838

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                    The Materials Project. Materials Data on La2Sn5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728838.

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                    The Materials Project. Materials Data on La2Sn5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728838

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                    The Materials Project. 2020.  
"Materials Data on La2Sn5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728838.  https://www.osti.gov/servlets/purl/1728838. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1728838,

  title        = {Materials Data on La2Sn5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Sn5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.30–3.60 Å. In the second La site, La is bonded to twelve Sn atoms to form a mixture of face and corner-sharing LaSn12 cuboctahedra. There are a spread of La–Sn bond distances ranging from 3.34–3.45 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.12 Å. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four La and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.34 Å. In the third Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four La and six Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four equivalent La and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent La atoms. In the sixth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent La atoms.},

  doi          = {10.17188/1728838},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728838

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