Materials Data on Ho2Cr2Co15 by Materials Project

doi:10.17188/1685563

Title: Materials Data on Ho2Cr2Co15 by Materials Project

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Abstract

Ho2Cr2Co15 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Ho–Co bond distances ranging from 2.88–3.22 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to two equivalent Cr and eighteen Co atoms. Both Ho–Cr bond lengths are 3.03 Å. There are a spread of Ho–Co bond distances ranging from 2.93–3.13 Å. Cr is bonded in a 1-coordinate geometry to one Ho, one Cr, and twelve Co atoms. The Cr–Cr bond length is 2.03 Å. There are a spread of Cr–Co bond distances ranging from 2.59–2.68 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ho, two equivalent Cr, and eight Co atoms to form distorted CoHo2Cr2Co8 cuboctahedra that share corners with twenty-two CoHo2Cr2Co8 cuboctahedra, edges with ten CoHo3CrCo8 cuboctahedra, and faces with eighteen CoHo2Cr2Co8 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the second Co site, Co is bonded to two Ho, two equivalent Cr, and eight Co atomsmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1195916

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; Ho2Cr2Co15; Co-Cr-Ho

OSTI Identifier:: 1685563

DOI:: https://doi.org/10.17188/1685563

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                    The Materials Project. Materials Data on Ho2Cr2Co15 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685563.

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                    The Materials Project. Materials Data on Ho2Cr2Co15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685563

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                    The Materials Project. 2019.  
"Materials Data on Ho2Cr2Co15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685563.  https://www.osti.gov/servlets/purl/1685563. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1685563,

  title        = {Materials Data on Ho2Cr2Co15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2Cr2Co15 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Ho–Co bond distances ranging from 2.88–3.22 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to two equivalent Cr and eighteen Co atoms. Both Ho–Cr bond lengths are 3.03 Å. There are a spread of Ho–Co bond distances ranging from 2.93–3.13 Å. Cr is bonded in a 1-coordinate geometry to one Ho, one Cr, and twelve Co atoms. The Cr–Cr bond length is 2.03 Å. There are a spread of Cr–Co bond distances ranging from 2.59–2.68 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ho, two equivalent Cr, and eight Co atoms to form distorted CoHo2Cr2Co8 cuboctahedra that share corners with twenty-two CoHo2Cr2Co8 cuboctahedra, edges with ten CoHo3CrCo8 cuboctahedra, and faces with eighteen CoHo2Cr2Co8 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the second Co site, Co is bonded to two Ho, two equivalent Cr, and eight Co atoms to form a mixture of distorted face, edge, and corner-sharing CoHo2Cr2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.52 Å. In the third Co site, Co is bonded to three Ho, one Cr, and eight Co atoms to form a mixture of distorted face, edge, and corner-sharing CoHo3CrCo8 cuboctahedra. Both Co–Co bond lengths are 2.41 Å.},

  doi          = {10.17188/1685563},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685563

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