Materials Data on La3AuI3 by Materials Project

doi:10.17188/1687996

Title: Materials Data on La3AuI3 by Materials Project

Dataset

Abstract

La3AuI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Au and four equivalent I atoms to form a mixture of edge and corner-sharing LaAu2I4 octahedra. The corner-sharing octahedra tilt angles range from 5–11°. Both La–Au bond lengths are 3.03 Å. There are two shorter (3.35 Å) and two longer (3.40 Å) La–I bond lengths. Au is bonded to six equivalent La atoms to form edge-sharing AuLa6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1211485

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; La3AuI3; Au-I-La

OSTI Identifier:: 1687996

DOI:: https://doi.org/10.17188/1687996

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                    The Materials Project. Materials Data on La3AuI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687996.

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                    The Materials Project. Materials Data on La3AuI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687996

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                    The Materials Project. 2020.  
"Materials Data on La3AuI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687996.  https://www.osti.gov/servlets/purl/1687996. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1687996,

  title        = {Materials Data on La3AuI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3AuI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Au and four equivalent I atoms to form a mixture of edge and corner-sharing LaAu2I4 octahedra. The corner-sharing octahedra tilt angles range from 5–11°. Both La–Au bond lengths are 3.03 Å. There are two shorter (3.35 Å) and two longer (3.40 Å) La–I bond lengths. Au is bonded to six equivalent La atoms to form edge-sharing AuLa6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.},

  doi          = {10.17188/1687996},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1687996

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