Materials Data on Li7Nb8O24 by Materials Project

doi:10.17188/1284288

Title: Materials Data on Li7Nb8O24 by Materials Project

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Abstract

Li7Nb8O24 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are one shorter (2.00 Å) and two longer (2.01 Å) Li–O bond lengths. In the second Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.03 Å. In the third Li site, Li is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.99 Å) and two longer (2.00 Å) Li–O bond length. In the fourth Li site, Li is bonded in a trigonal planar geometry to three O atoms. All Li–O bond lengths are 2.00 Å. In the fifth Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.98–2.01 Å. In the sixth Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.02 Å. In the seventh Li site, Li is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-686097

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; Li7Nb8O24; Li-Nb-O

OSTI Identifier:: 1284288

DOI:: https://doi.org/10.17188/1284288

Citation Formats


                    The Materials Project. Materials Data on Li7Nb8O24 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284288.

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                    The Materials Project. Materials Data on Li7Nb8O24 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284288

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                    The Materials Project. 2020.  
"Materials Data on Li7Nb8O24 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284288.  https://www.osti.gov/servlets/purl/1284288. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1284288,

  title        = {Materials Data on Li7Nb8O24 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li7Nb8O24 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are one shorter (2.00 Å) and two longer (2.01 Å) Li–O bond lengths. In the second Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.03 Å. In the third Li site, Li is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.99 Å) and two longer (2.00 Å) Li–O bond length. In the fourth Li site, Li is bonded in a trigonal planar geometry to three O atoms. All Li–O bond lengths are 2.00 Å. In the fifth Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.98–2.01 Å. In the sixth Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.02 Å. In the seventh Li site, Li is bonded in a trigonal planar geometry to three O atoms. There are a spread of Li–O bond distances ranging from 2.01–2.03 Å. There are eight inequivalent Nb sites. In the first Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–39°. There are a spread of Nb–O bond distances ranging from 1.94–2.06 Å. In the second Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of Nb–O bond distances ranging from 1.97–2.05 Å. In the third Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–39°. There are a spread of Nb–O bond distances ranging from 1.95–2.08 Å. In the fourth Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–40°. There are a spread of Nb–O bond distances ranging from 1.98–2.05 Å. In the fifth Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–38°. There are a spread of Nb–O bond distances ranging from 1.96–2.08 Å. In the sixth Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–39°. There are a spread of Nb–O bond distances ranging from 1.96–2.05 Å. In the seventh Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–40°. There are a spread of Nb–O bond distances ranging from 1.97–2.05 Å. In the eighth Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–38°. There are a spread of Nb–O bond distances ranging from 1.98–2.05 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Nb atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li and two Nb atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the ninth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li and two Nb atoms. In the tenth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Nb atoms. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the thirteenth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the fourteenth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the fifteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li and two Nb atoms. In the sixteenth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the seventeenth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the eighteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li and two Nb atoms. In the nineteenth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the twentieth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the twenty-first O site, O is bonded in a bent 150 degrees geometry to two Nb atoms. In the twenty-second O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms. In the twenty-third O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li and two Nb atoms. In the twenty-fourth O site, O is bonded in a distorted trigonal planar geometry to one Li and two Nb atoms.},

  doi          = {10.17188/1284288},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1284288

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