Materials Data on Pr2CdCu2 by Materials Project

doi:10.17188/1309211

Title: Materials Data on Pr2CdCu2 by Materials Project

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Abstract

Pr2Cu2Cd crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Pr–Cu bond distances ranging from 2.98–3.19 Å. There are two shorter (3.44 Å) and two longer (3.52 Å) Pr–Cd bond lengths. In the second Pr site, Pr is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Pr–Cu bond distances ranging from 2.98–3.08 Å. There are two shorter (3.39 Å) and two longer (3.43 Å) Pr–Cd bond lengths. Cu is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one Cd atom. There are one shorter (2.55 Å) and one longer (2.59 Å) Cu–Cu bond lengths. The Cu–Cd bond length is 2.99 Å. Cd is bonded in a 11-coordinate geometry to eight Pr, two equivalent Cu, and one Cd atom. The Cd–Cd bond length is 3.19 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-861595

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; Pr2CdCu2; Cd-Cu-Pr

OSTI Identifier:: 1309211

DOI:: https://doi.org/10.17188/1309211

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                    The Materials Project. Materials Data on Pr2CdCu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309211.

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                    The Materials Project. Materials Data on Pr2CdCu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309211

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                    The Materials Project. 2020.  
"Materials Data on Pr2CdCu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309211.  https://www.osti.gov/servlets/purl/1309211. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1309211,

  title        = {Materials Data on Pr2CdCu2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Cu2Cd crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Pr–Cu bond distances ranging from 2.98–3.19 Å. There are two shorter (3.44 Å) and two longer (3.52 Å) Pr–Cd bond lengths. In the second Pr site, Pr is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Pr–Cu bond distances ranging from 2.98–3.08 Å. There are two shorter (3.39 Å) and two longer (3.43 Å) Pr–Cd bond lengths. Cu is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one Cd atom. There are one shorter (2.55 Å) and one longer (2.59 Å) Cu–Cu bond lengths. The Cu–Cd bond length is 2.99 Å. Cd is bonded in a 11-coordinate geometry to eight Pr, two equivalent Cu, and one Cd atom. The Cd–Cd bond length is 3.19 Å.},

  doi          = {10.17188/1309211},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1309211

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