Materials Data on Pr(In2Au)2 by Materials Project

doi:10.17188/1277569

Title: Materials Data on Pr(In2Au)2 by Materials Project

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Abstract

Pr(AuIn2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. In the second Pr site, Pr is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.07 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.91 Å. In the third Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–Inmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-607514

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; Pr(In2Au)2; Au-In-Pr

OSTI Identifier:: 1277569

DOI:: https://doi.org/10.17188/1277569

Citation Formats


                    The Materials Project. Materials Data on Pr(In2Au)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277569.

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                    The Materials Project. Materials Data on Pr(In2Au)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277569

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                    The Materials Project. 2020.  
"Materials Data on Pr(In2Au)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277569.  https://www.osti.gov/servlets/purl/1277569. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1277569,

  title        = {Materials Data on Pr(In2Au)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr(AuIn2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. In the second Pr site, Pr is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.07 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.91 Å. In the third Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.07 Å. In the fourth Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the third In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the fourth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the fifth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the seventh In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms.},

  doi          = {10.17188/1277569},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277569

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