Materials Data on PrSiGe by Materials Project

doi:10.17188/1732604

Title: Materials Data on PrSiGe by Materials Project

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Abstract

PrGeSi is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of edge and face-sharing PrSi6Ge6 cuboctahedra. There are four shorter (3.23 Å) and two longer (3.45 Å) Pr–Ge bond lengths. There are four shorter (3.21 Å) and two longer (3.22 Å) Pr–Si bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Pr, two equivalent Ge, and one Si atom. Both Ge–Ge bond lengths are 2.58 Å. The Ge–Si bond length is 2.53 Å. Si is bonded in a 9-coordinate geometry to six equivalent Pr, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å.

Authors:: The Materials Project

Publication Date:: Sun Apr 26 00:00:00 EDT 2020

Other Number(s):: mp-1077510

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; PrSiGe; Ge-Pr-Si

OSTI Identifier:: 1732604

DOI:: https://doi.org/10.17188/1732604

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                    The Materials Project. Materials Data on PrSiGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732604.

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                    The Materials Project. Materials Data on PrSiGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1732604

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                    The Materials Project. 2020.  
"Materials Data on PrSiGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1732604.  https://www.osti.gov/servlets/purl/1732604. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1732604,

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

  author       = {The Materials Project},

  abstractNote = {PrGeSi is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of edge and face-sharing PrSi6Ge6 cuboctahedra. There are four shorter (3.23 Å) and two longer (3.45 Å) Pr–Ge bond lengths. There are four shorter (3.21 Å) and two longer (3.22 Å) Pr–Si bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Pr, two equivalent Ge, and one Si atom. Both Ge–Ge bond lengths are 2.58 Å. The Ge–Si bond length is 2.53 Å. Si is bonded in a 9-coordinate geometry to six equivalent Pr, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å.},

  doi          = {10.17188/1732604},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Apr 26 00:00:00 EDT 2020},

  month        = {Sun Apr 26 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732604

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