Materials Data on Er3Al2Ni6H7 by Materials Project

doi:10.17188/1685903

Title: Materials Data on Er3Al2Ni6H7 by Materials Project

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Abstract

Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent H atoms. All Er–H bond lengths are 2.14 Å. Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Al and two equivalent H atoms. Both Ni–Al bond lengths are 2.51 Å. Both Ni–H bond lengths are 1.70 Å. Al is bonded in a distorted linear geometry to six equivalent Ni and two equivalent H atoms. Both Al–H bond lengths are 2.00 Å. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Er and one Al atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H is bonded to four equivalent Ni atoms to form distorted corner-sharing HNi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1201730

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; Er3Al2Ni6H7; Al-Er-H-Ni

OSTI Identifier:: 1685903

DOI:: https://doi.org/10.17188/1685903

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                    The Materials Project. Materials Data on Er3Al2Ni6H7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685903.

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                    The Materials Project. Materials Data on Er3Al2Ni6H7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685903

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                    The Materials Project. 2020.  
"Materials Data on Er3Al2Ni6H7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685903.  https://www.osti.gov/servlets/purl/1685903. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685903,

  title        = {Materials Data on Er3Al2Ni6H7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent H atoms. All Er–H bond lengths are 2.14 Å. Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Al and two equivalent H atoms. Both Ni–Al bond lengths are 2.51 Å. Both Ni–H bond lengths are 1.70 Å. Al is bonded in a distorted linear geometry to six equivalent Ni and two equivalent H atoms. Both Al–H bond lengths are 2.00 Å. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Er and one Al atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H is bonded to four equivalent Ni atoms to form distorted corner-sharing HNi4 tetrahedra.},

  doi          = {10.17188/1685903},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685903

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