Materials Data on PrAlGe by Materials Project

doi:10.17188/1187130

Title: Materials Data on PrAlGe by Materials Project

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Abstract

PrAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing PrAl6Ge6 cuboctahedra. There are two shorter (3.27 Å) and four longer (3.29 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.28 Å. In the second Pr site, Pr is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing PrAl6Ge6 cuboctahedra. There are two shorter (3.27 Å) and four longer (3.29 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.28 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. Both Al–Pr bond lengths are 3.27 Å. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the thirdmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10450

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; PrAlGe; Al-Ge-Pr

OSTI Identifier:: 1187130

DOI:: https://doi.org/10.17188/1187130

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                    The Materials Project. Materials Data on PrAlGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187130.

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                    The Materials Project. Materials Data on PrAlGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1187130

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                    The Materials Project. 2020.  
"Materials Data on PrAlGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1187130.  https://www.osti.gov/servlets/purl/1187130. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187130,

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

  author       = {The Materials Project},

  abstractNote = {PrAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing PrAl6Ge6 cuboctahedra. There are two shorter (3.27 Å) and four longer (3.29 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.28 Å. In the second Pr site, Pr is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing PrAl6Ge6 cuboctahedra. There are two shorter (3.27 Å) and four longer (3.29 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.28 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. Both Al–Pr bond lengths are 3.27 Å. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. All Al–Pr bond lengths are 3.29 Å. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the fourth Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. There are two shorter (3.27 Å) and four longer (3.29 Å) Al–Pr bond lengths. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. Ge is bonded in a distorted trigonal planar geometry to six Pr and three Al atoms.},

  doi          = {10.17188/1187130},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187130

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