Materials Data on Sn5(BIr3)2 by Materials Project

doi:10.17188/1203050

Title: Materials Data on Sn5(BIr3)2 by Materials Project

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Abstract

Sn5(Ir3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ir is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Ir–B bond lengths. There are a spread of Ir–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ir atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Ir and three equivalent Sn atoms. All B–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to six equivalent Ir and one B atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-28998

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; Sn5(BIr3)2; B-Ir-Sn

OSTI Identifier:: 1203050

DOI:: https://doi.org/10.17188/1203050

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                    The Materials Project. Materials Data on Sn5(BIr3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203050.

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                    The Materials Project. Materials Data on Sn5(BIr3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203050

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                    The Materials Project. 2020.  
"Materials Data on Sn5(BIr3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203050.  https://www.osti.gov/servlets/purl/1203050. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203050,

  title        = {Materials Data on Sn5(BIr3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sn5(Ir3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ir is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Ir–B bond lengths. There are a spread of Ir–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ir atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Ir and three equivalent Sn atoms. All B–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to six equivalent Ir and one B atom.},

  doi          = {10.17188/1203050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203050

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