Materials Data on GdCo2B2C by Materials Project

doi:10.17188/1746760

Title: Materials Data on GdCo2B2C by Materials Project

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Abstract

GdCo2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Gd–C bond lengths are 2.52 Å. Co+2.50+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with four equivalent CGd4B2 octahedra, corners with four equivalent CoB4 tetrahedra, and edges with four equivalent CoB4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Co–B bond lengths are 2.07 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Co+2.50+ and one C2- atom. The B–C bond length is 1.51 Å. C2- is bonded to four equivalent Gd3+ and two equivalent B3- atoms to form distorted CGd4B2 octahedra that share corners with four equivalent CGd4B2 octahedra, corners with eight equivalent CoB4 tetrahedra, and edges with four equivalent CGd4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

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

Other Number(s):: mp-1077521

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; GdCo2B2C; B-C-Co-Gd

OSTI Identifier:: 1746760

DOI:: https://doi.org/10.17188/1746760

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                    The Materials Project. Materials Data on GdCo2B2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746760.

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                    The Materials Project. Materials Data on GdCo2B2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1746760

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                    The Materials Project. 2020.  
"Materials Data on GdCo2B2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1746760.  https://www.osti.gov/servlets/purl/1746760. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1746760,

  title        = {Materials Data on GdCo2B2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GdCo2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Gd–C bond lengths are 2.52 Å. Co+2.50+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with four equivalent CGd4B2 octahedra, corners with four equivalent CoB4 tetrahedra, and edges with four equivalent CoB4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Co–B bond lengths are 2.07 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Co+2.50+ and one C2- atom. The B–C bond length is 1.51 Å. C2- is bonded to four equivalent Gd3+ and two equivalent B3- atoms to form distorted CGd4B2 octahedra that share corners with four equivalent CGd4B2 octahedra, corners with eight equivalent CoB4 tetrahedra, and edges with four equivalent CGd4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1746760},

  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/10.17188/1746760

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