Materials Data on Eu3(AsPd)4 by Materials Project

doi:10.17188/1277719

Title: Materials Data on Eu3(AsPd)4 by Materials Project

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Abstract

Eu3(PdAs)4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to eight Pd and six As atoms. There are a spread of Eu–Pd bond distances ranging from 3.33–3.39 Å. There are four shorter (3.21 Å) and two longer (3.31 Å) Eu–As bond lengths. In the second Eu site, Eu is bonded to four equivalent Pd and eight equivalent As atoms to form a mixture of face and edge-sharing EuAs8Pd4 cuboctahedra. There are two shorter (3.21 Å) and two longer (3.22 Å) Eu–Pd bond lengths. All Eu–As bond lengths are 3.29 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Eu and three As atoms. There are two shorter (2.47 Å) and one longer (2.49 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded to four equivalent Eu, four equivalent Pd, and four equivalent As atoms to form a mixture of distorted face and corner-sharing PdEu4As4Pd4 cuboctahedra. All Pd–Pd bond lengths are 3.02 Å. There are two shorter (2.58 Å) and two longer (2.59 Å) Pd–Asmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-612175

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; Eu3(AsPd)4; As-Eu-Pd

OSTI Identifier:: 1277719

DOI:: https://doi.org/10.17188/1277719

Citation Formats


                    The Materials Project. Materials Data on Eu3(AsPd)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277719.

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                    The Materials Project. Materials Data on Eu3(AsPd)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277719

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                    The Materials Project. 2020.  
"Materials Data on Eu3(AsPd)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277719.  https://www.osti.gov/servlets/purl/1277719. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1277719,

  title        = {Materials Data on Eu3(AsPd)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3(PdAs)4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to eight Pd and six As atoms. There are a spread of Eu–Pd bond distances ranging from 3.33–3.39 Å. There are four shorter (3.21 Å) and two longer (3.31 Å) Eu–As bond lengths. In the second Eu site, Eu is bonded to four equivalent Pd and eight equivalent As atoms to form a mixture of face and edge-sharing EuAs8Pd4 cuboctahedra. There are two shorter (3.21 Å) and two longer (3.22 Å) Eu–Pd bond lengths. All Eu–As bond lengths are 3.29 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Eu and three As atoms. There are two shorter (2.47 Å) and one longer (2.49 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded to four equivalent Eu, four equivalent Pd, and four equivalent As atoms to form a mixture of distorted face and corner-sharing PdEu4As4Pd4 cuboctahedra. All Pd–Pd bond lengths are 3.02 Å. There are two shorter (2.58 Å) and two longer (2.59 Å) Pd–As bond lengths. In the third Pd site, Pd is bonded to four equivalent Eu, four equivalent Pd, and four equivalent As atoms to form a mixture of distorted face and corner-sharing PdEu4As4Pd4 cuboctahedra. All Pd–As bond lengths are 2.66 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to four equivalent Eu and five Pd atoms. In the second As site, As is bonded in a 9-coordinate geometry to six Eu, two equivalent Pd, and one As atom. The As–As bond length is 2.59 Å.},

  doi          = {10.17188/1277719},

  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/10.17188/1277719

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