Materials Data on Sr(In4Ir)2 by Materials Project

doi:10.17188/1685785

Title: Materials Data on Sr(In4Ir)2 by Materials Project

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Abstract

Sr(IrIn4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to thirteen In atoms. There are a spread of Sr–In bond distances ranging from 3.46–3.83 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Ir–In bond distances ranging from 2.63–2.95 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Ir–In bond distances ranging from 2.66–3.01 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to four equivalent Ir and two equivalent In atoms. Both In–In bond lengths are 3.05 Å. In the second In site, In is bonded in a distorted linear geometry to two equivalent Sr, two equivalent Ir, and four equivalent In atoms. All In–In bond lengths are 3.14 Å. In the third In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Ir, and eight In atoms. There are a spread of In–In bond distances ranging from 3.15–3.35 Å. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1194987

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; Sr(In4Ir)2; In-Ir-Sr

OSTI Identifier:: 1685785

DOI:: https://doi.org/10.17188/1685785

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                    The Materials Project. Materials Data on Sr(In4Ir)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685785.

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                    The Materials Project. Materials Data on Sr(In4Ir)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685785

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                    The Materials Project. 2020.  
"Materials Data on Sr(In4Ir)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685785.  https://www.osti.gov/servlets/purl/1685785. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685785,

  title        = {Materials Data on Sr(In4Ir)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr(IrIn4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to thirteen In atoms. There are a spread of Sr–In bond distances ranging from 3.46–3.83 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Ir–In bond distances ranging from 2.63–2.95 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Ir–In bond distances ranging from 2.66–3.01 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to four equivalent Ir and two equivalent In atoms. Both In–In bond lengths are 3.05 Å. In the second In site, In is bonded in a distorted linear geometry to two equivalent Sr, two equivalent Ir, and four equivalent In atoms. All In–In bond lengths are 3.14 Å. In the third In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Ir, and eight In atoms. There are a spread of In–In bond distances ranging from 3.15–3.35 Å. In the fourth In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Ir, and three In atoms. There are a spread of In–In bond distances ranging from 2.94–3.43 Å. In the fifth In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Ir, and eight In atoms. There are a spread of In–In bond distances ranging from 2.97–3.42 Å. In the sixth In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Ir, and four In atoms. In the seventh In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Ir, and six In atoms. Both In–In bond lengths are 3.27 Å. In the eighth In site, In is bonded in a distorted linear geometry to two equivalent Sr, two Ir, and six In atoms. In the ninth In site, In is bonded in a 1-coordinate geometry to three Ir and two equivalent In atoms.},

  doi          = {10.17188/1685785},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685785

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