Materials Data on NiH6(SO6)2 by Materials Project

doi:10.17188/1288470

Title: Materials Data on NiH6(SO6)2 by Materials Project

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Abstract

Ni(HO)4(HSO4)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide monohydrate molecules and one Ni(HO)4 cluster. In the Ni(HO)4 cluster, Ni is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.73 Å) and two longer (2.16 Å) Ni–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Ni and one H atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ni and one H atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-746820

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; NiH6(SO6)2; H-Ni-O-S

OSTI Identifier:: 1288470

DOI:: https://doi.org/10.17188/1288470

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                    The Materials Project. Materials Data on NiH6(SO6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288470.

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                    The Materials Project. Materials Data on NiH6(SO6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288470

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                    The Materials Project. 2020.  
"Materials Data on NiH6(SO6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288470.  https://www.osti.gov/servlets/purl/1288470. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1288470,

  title        = {Materials Data on NiH6(SO6)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni(HO)4(HSO4)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide monohydrate molecules and one Ni(HO)4 cluster. In the Ni(HO)4 cluster, Ni is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.73 Å) and two longer (2.16 Å) Ni–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Ni and one H atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ni and one H atom.},

  doi          = {10.17188/1288470},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1288470

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