Materials Data on Sr(InAu)2 by Materials Project

doi:10.17188/1275775

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

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Abstract

Sr(AuIn)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to seven Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.25–3.58 Å. There are a spread of Sr–In bond distances ranging from 3.59–3.63 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are a spread of Au–In bond distances ranging from 2.78–2.95 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to three equivalent Sr, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.90 Å. There are a spread of Au–In bond distances ranging from 2.76–2.89 Å. There are two inequivalent In sites. In the first In site, In is bonded to two equivalent Sr and four Au atoms to form a mixture of distorted corner and edge-sharing InSr2Au4 tetrahedra. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent Sr and five Au atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-570556

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(InAu)2; Au-In-Sr

OSTI Identifier:: 1275775

DOI:: https://doi.org/10.17188/1275775

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                    The Materials Project. Materials Data on Sr(InAu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275775.

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                    The Materials Project. Materials Data on Sr(InAu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275775

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                    The Materials Project. 2020.  
"Materials Data on Sr(InAu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275775.  https://www.osti.gov/servlets/purl/1275775. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1275775,

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

  author       = {The Materials Project},

  abstractNote = {Sr(AuIn)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to seven Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.25–3.58 Å. There are a spread of Sr–In bond distances ranging from 3.59–3.63 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are a spread of Au–In bond distances ranging from 2.78–2.95 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to three equivalent Sr, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.90 Å. There are a spread of Au–In bond distances ranging from 2.76–2.89 Å. There are two inequivalent In sites. In the first In site, In is bonded to two equivalent Sr and four Au atoms to form a mixture of distorted corner and edge-sharing InSr2Au4 tetrahedra. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent Sr and five Au atoms.},

  doi          = {10.17188/1275775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275775

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