Materials Data on Li3NiO6 by Materials Project

doi:10.17188/1707583

Title: Materials Data on Li3NiO6 by Materials Project

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Abstract

LiLi2NiO4O2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two lithium molecules; four water molecules; and one Li2NiO4 sheet oriented in the (0, 0, 1) direction. In the Li2NiO4 sheet, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.83 Å. Ni is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Ni–O bond lengths are 1.84 Å. O is bonded in a 2-coordinate geometry to one Li, one Ni, and one O atom. The O–O bond length is 1.48 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1213623

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; Li3NiO6; Li-Ni-O

OSTI Identifier:: 1707583

DOI:: https://doi.org/10.17188/1707583

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                    The Materials Project. Materials Data on Li3NiO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707583.

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                    The Materials Project. Materials Data on Li3NiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707583

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                    The Materials Project. 2019.  
"Materials Data on Li3NiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707583.  https://www.osti.gov/servlets/purl/1707583. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1707583,

  title        = {Materials Data on Li3NiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiLi2NiO4O2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two lithium molecules; four water molecules; and one Li2NiO4 sheet oriented in the (0, 0, 1) direction. In the Li2NiO4 sheet, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.83 Å. Ni is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Ni–O bond lengths are 1.84 Å. O is bonded in a 2-coordinate geometry to one Li, one Ni, and one O atom. The O–O bond length is 1.48 Å.},

  doi          = {10.17188/1707583},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707583

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