Materials Data on Er6IrI10 by Materials Project

doi:10.17188/1683599

Title: Materials Data on Er6IrI10 by Materials Project

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Abstract

Er6IrI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to one Ir and five I atoms to form a mixture of distorted edge and corner-sharing ErIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Er–Ir bond length is 2.67 Å. There are a spread of Er–I bond distances ranging from 3.02–3.32 Å. In the second Er site, Er is bonded to one Ir and five I atoms to form a mixture of distorted edge and corner-sharing ErIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Er–Ir bond length is 2.72 Å. There are a spread of Er–I bond distances ranging from 3.00–3.31 Å. In the third Er site, Er is bonded to one Ir and five I atoms to form a mixture of distorted edge and corner-sharing ErIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Er–Ir bond length is 2.67 Å. There are a spread of Er–I bond distances ranging from 3.09–3.31 Å. Ir is bonded in an octahedral geometry to six Er atoms. There are five inequivalent I sites. In the first I site, Imore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1188271

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; Er6IrI10; Er-I-Ir

OSTI Identifier:: 1683599

DOI:: https://doi.org/10.17188/1683599

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                    The Materials Project. Materials Data on Er6IrI10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683599.

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                    The Materials Project. Materials Data on Er6IrI10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683599

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                    The Materials Project. 2020.  
"Materials Data on Er6IrI10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683599.  https://www.osti.gov/servlets/purl/1683599. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1683599,

  title        = {Materials Data on Er6IrI10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er6IrI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to one Ir and five I atoms to form a mixture of distorted edge and corner-sharing ErIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Er–Ir bond length is 2.67 Å. There are a spread of Er–I bond distances ranging from 3.02–3.32 Å. In the second Er site, Er is bonded to one Ir and five I atoms to form a mixture of distorted edge and corner-sharing ErIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Er–Ir bond length is 2.72 Å. There are a spread of Er–I bond distances ranging from 3.00–3.31 Å. In the third Er site, Er is bonded to one Ir and five I atoms to form a mixture of distorted edge and corner-sharing ErIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Er–Ir bond length is 2.67 Å. There are a spread of Er–I bond distances ranging from 3.09–3.31 Å. Ir is bonded in an octahedral geometry to six Er atoms. There are five inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the second I site, I is bonded in a distorted see-saw-like geometry to four Er atoms. In the third I site, I is bonded in a distorted T-shaped geometry to three Er atoms. In the fourth I site, I is bonded in a distorted L-shaped geometry to two Er atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Er atoms.},

  doi          = {10.17188/1683599},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1683599

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