Materials Data on LiNdTiO4 by Materials Project

doi:10.17188/1187176

Title: Materials Data on LiNdTiO4 by Materials Project

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Abstract

LiNdTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. All Li–O bond lengths are 2.03 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.33–2.70 Å. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.80–2.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent Nd3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Ti4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10520

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; LiNdTiO4; Li-Nd-O-Ti

OSTI Identifier:: 1187176

DOI:: https://doi.org/10.17188/1187176

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                    The Materials Project. Materials Data on LiNdTiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187176.

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                    The Materials Project. Materials Data on LiNdTiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187176

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                    The Materials Project. 2020.  
"Materials Data on LiNdTiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187176.  https://www.osti.gov/servlets/purl/1187176. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187176,

  title        = {Materials Data on LiNdTiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiNdTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. All Li–O bond lengths are 2.03 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.33–2.70 Å. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.80–2.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent Nd3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Ti4+ atoms.},

  doi          = {10.17188/1187176},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187176

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