Materials Data on TlNiO3 by Materials Project

doi:10.17188/1317402

Title: Materials Data on TlNiO3 by Materials Project

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Abstract

TlNiO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There is three shorter (1.95 Å) and three longer (1.97 Å) Ni–O bond length. Tl3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.20 Å) and three longer (2.52 Å) Tl–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Ni3+ and two equivalent Tl3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-998845

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; TlNiO3; Ni-O-Tl

OSTI Identifier:: 1317402

DOI:: https://doi.org/10.17188/1317402

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                    The Materials Project. Materials Data on TlNiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317402.

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                    The Materials Project. Materials Data on TlNiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317402

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                    The Materials Project. 2020.  
"Materials Data on TlNiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317402.  https://www.osti.gov/servlets/purl/1317402. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317402,

  title        = {Materials Data on TlNiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlNiO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There is three shorter (1.95 Å) and three longer (1.97 Å) Ni–O bond length. Tl3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.20 Å) and three longer (2.52 Å) Tl–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Ni3+ and two equivalent Tl3+ atoms.},

  doi          = {10.17188/1317402},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317402

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