Materials Data on Re2NiO8 by Materials Project

doi:10.17188/1206140

Title: Materials Data on Re2NiO8 by Materials Project

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Abstract

Ni(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Ni(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Ni–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Ni2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-32311

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; Re2NiO8; Ni-O-Re

OSTI Identifier:: 1206140

DOI:: https://doi.org/10.17188/1206140

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                    The Materials Project. Materials Data on Re2NiO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206140.

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                    The Materials Project. Materials Data on Re2NiO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206140

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                    The Materials Project. 2020.  
"Materials Data on Re2NiO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206140.  https://www.osti.gov/servlets/purl/1206140. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1206140,

  title        = {Materials Data on Re2NiO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Ni(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Ni–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Ni2+ atom.},

  doi          = {10.17188/1206140},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206140

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