Materials Data on LiMn2NiO6 by Materials Project

doi:10.17188/1292797

Title: Materials Data on LiMn2NiO6 by Materials Project

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Abstract

LiMn2NiO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent NiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–16°. There are a spread of Li–O bond distances ranging from 2.10–2.21 Å. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Mn–O bond distances ranging from 1.89–1.96 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. There are a spread of Ni–O bond distances ranging from 1.90–2.12 Å. There are three inequivalent O2- sites. In the firstmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-762633

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; LiMn2NiO6; Li-Mn-Ni-O

OSTI Identifier:: 1292797

DOI:: https://doi.org/10.17188/1292797

Citation Formats


                    The Materials Project. Materials Data on LiMn2NiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1292797.

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                    The Materials Project. Materials Data on LiMn2NiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1292797

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                    The Materials Project. 2020.  
"Materials Data on LiMn2NiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1292797.  https://www.osti.gov/servlets/purl/1292797. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1292797,

  title        = {Materials Data on LiMn2NiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiMn2NiO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent NiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–16°. There are a spread of Li–O bond distances ranging from 2.10–2.21 Å. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Mn–O bond distances ranging from 1.89–1.96 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. There are a spread of Ni–O bond distances ranging from 1.90–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Mn+4.50+, and two equivalent Ni2+ atoms to form a mixture of corner and edge-sharing OLi2MnNi2 square pyramids. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent Mn+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn+4.50+ and one Ni2+ atom.},

  doi          = {10.17188/1292797},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1292797

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