Materials Data on Zr3Cd2 by Materials Project

doi:10.17188/1279554

Title: Materials Data on Zr3Cd2 by Materials Project

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Abstract

Zr3Cd2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a square co-planar geometry to four Zr atoms. There are two shorter (2.80 Å) and two longer (2.81 Å) Zr–Zr bond lengths. In the second Zr site, Zr is bonded in a distorted linear geometry to two equivalent Zr and two equivalent Cd atoms. Both Zr–Cd bond lengths are 2.80 Å. In the third Zr site, Zr is bonded in a distorted linear geometry to two equivalent Zr and two equivalent Cd atoms. Both Zr–Cd bond lengths are 2.81 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four Zr and two equivalent Cd atoms to form corner-sharing CdZr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cd–Cd bond lengths are 2.62 Å. In the second Cd site, Cd is bonded in a distorted linear geometry to two equivalent Cd atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-636095

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; Zr3Cd2; Cd-Zr

OSTI Identifier:: 1279554

DOI:: https://doi.org/10.17188/1279554

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                    The Materials Project. Materials Data on Zr3Cd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279554.

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                    The Materials Project. Materials Data on Zr3Cd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279554

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                    The Materials Project. 2020.  
"Materials Data on Zr3Cd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279554.  https://www.osti.gov/servlets/purl/1279554. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1279554,

  title        = {Materials Data on Zr3Cd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3Cd2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a square co-planar geometry to four Zr atoms. There are two shorter (2.80 Å) and two longer (2.81 Å) Zr–Zr bond lengths. In the second Zr site, Zr is bonded in a distorted linear geometry to two equivalent Zr and two equivalent Cd atoms. Both Zr–Cd bond lengths are 2.80 Å. In the third Zr site, Zr is bonded in a distorted linear geometry to two equivalent Zr and two equivalent Cd atoms. Both Zr–Cd bond lengths are 2.81 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four Zr and two equivalent Cd atoms to form corner-sharing CdZr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cd–Cd bond lengths are 2.62 Å. In the second Cd site, Cd is bonded in a distorted linear geometry to two equivalent Cd atoms.},

  doi          = {10.17188/1279554},

  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/10.17188/1279554

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