Materials Data on Pr2Zn5Pb by Materials Project

doi:10.17188/1731364

Title: Materials Data on Pr2Zn5Pb by Materials Project

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Abstract

Pr2Zn5Pb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to thirteen Zn and two equivalent Pb atoms. There are a spread of Pr–Zn bond distances ranging from 3.13–3.34 Å. Both Pr–Pb bond lengths are 3.40 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to ten Zn and four equivalent Pb atoms. There are a spread of Pr–Zn bond distances ranging from 3.27–3.70 Å. All Pr–Pb bond lengths are 3.35 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Pr and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.91 Å. In the second Zn site, Zn is bonded in a distorted single-bond geometry to five Pr, three equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.78 Å. In the third Zn site, Zn is bonded in a distorted single-bond geometry to five Pr, four equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.71 Å. Pb is bonded in a 9-coordinate geometrymore » to six Pr and three Zn atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1189596

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; Pr2Zn5Pb; Pb-Pr-Zn

OSTI Identifier:: 1731364

DOI:: https://doi.org/10.17188/1731364

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                    The Materials Project. Materials Data on Pr2Zn5Pb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731364.

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                    The Materials Project. Materials Data on Pr2Zn5Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1731364

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                    The Materials Project. 2020.  
"Materials Data on Pr2Zn5Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1731364.  https://www.osti.gov/servlets/purl/1731364. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1731364,

  title        = {Materials Data on Pr2Zn5Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Zn5Pb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to thirteen Zn and two equivalent Pb atoms. There are a spread of Pr–Zn bond distances ranging from 3.13–3.34 Å. Both Pr–Pb bond lengths are 3.40 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to ten Zn and four equivalent Pb atoms. There are a spread of Pr–Zn bond distances ranging from 3.27–3.70 Å. All Pr–Pb bond lengths are 3.35 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Pr and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.91 Å. In the second Zn site, Zn is bonded in a distorted single-bond geometry to five Pr, three equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.78 Å. In the third Zn site, Zn is bonded in a distorted single-bond geometry to five Pr, four equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.71 Å. Pb is bonded in a 9-coordinate geometry to six Pr and three Zn atoms.},

  doi          = {10.17188/1731364},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1731364

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