Materials Data on Ho8In3Co by Materials Project

doi:10.17188/1740562

Title: Materials Data on Ho8In3Co by Materials Project

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Abstract

Ho8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are two shorter (3.25 Å) and two longer (3.79 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are a spread of Ho–In bond distances ranging from 3.07–3.73 Å. In the third Ho site, Ho is bonded to one Co and three equivalent In atoms to form distorted corner-sharing HoIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 13–49°. The Ho–Co bond length is 2.70 Å. All Ho–In bond lengths are 3.21 Å. In the fourth Ho site, Ho is bonded to six equivalent In atoms to form distorted HoIn6 octahedra that share corners with six equivalent HoIn3Co tetrahedra and faces with two equivalent HoIn6 octahedra. There are three shorter (3.37 Å) and three longer (3.40 Å) Ho–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Ho atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1192267

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; Ho8In3Co; Co-Ho-In

OSTI Identifier:: 1740562

DOI:: https://doi.org/10.17188/1740562

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                    The Materials Project. Materials Data on Ho8In3Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740562.

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                    The Materials Project. Materials Data on Ho8In3Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1740562

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                    The Materials Project. 2020.  
"Materials Data on Ho8In3Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1740562.  https://www.osti.gov/servlets/purl/1740562. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740562,

  title        = {Materials Data on Ho8In3Co by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are two shorter (3.25 Å) and two longer (3.79 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are a spread of Ho–In bond distances ranging from 3.07–3.73 Å. In the third Ho site, Ho is bonded to one Co and three equivalent In atoms to form distorted corner-sharing HoIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 13–49°. The Ho–Co bond length is 2.70 Å. All Ho–In bond lengths are 3.21 Å. In the fourth Ho site, Ho is bonded to six equivalent In atoms to form distorted HoIn6 octahedra that share corners with six equivalent HoIn3Co tetrahedra and faces with two equivalent HoIn6 octahedra. There are three shorter (3.37 Å) and three longer (3.40 Å) Ho–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Ho atoms. In is bonded in a 11-coordinate geometry to eleven Ho atoms.},

  doi          = {10.17188/1740562},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740562

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