Materials Data on NiSO9 by Materials Project

doi:10.17188/1740371

Title: Materials Data on NiSO9 by Materials Project

Dataset

Abstract

NiO6SO3 crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three sulfur trioxide molecules and three NiO6 clusters. In each NiO6 cluster, Ni is bonded in a distorted octahedral geometry to six O atoms. There is three shorter (1.81 Å) and three longer (1.82 Å) Ni–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1101924

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; NiSO9; Ni-O-S

OSTI Identifier:: 1740371

DOI:: https://doi.org/10.17188/1740371

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                    The Materials Project. Materials Data on NiSO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740371.

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                    The Materials Project. Materials Data on NiSO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740371

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                    The Materials Project. 2020.  
"Materials Data on NiSO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740371.  https://www.osti.gov/servlets/purl/1740371. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740371,

  title        = {Materials Data on NiSO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiO6SO3 crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three sulfur trioxide molecules and three NiO6 clusters. In each NiO6 cluster, Ni is bonded in a distorted octahedral geometry to six O atoms. There is three shorter (1.81 Å) and three longer (1.82 Å) Ni–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom.},

  doi          = {10.17188/1740371},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740371

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