Materials Data on LiLaTi2O6 by Materials Project

doi:10.17188/1297578

Title: Materials Data on LiLaTi2O6 by Materials Project

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Abstract

LiLaTi2O6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.12 Å) Li–O bond lengths. La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.48–3.08 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–15°. There is two shorter (1.96 Å) and four longer (1.97 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–12°. There are a spread of Ti–O bond distances ranging from 1.95–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, two equivalent La3+, and two Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, two equivalent La3+, and two Ti4+ atoms. In the third O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-767402

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; LiLaTi2O6; La-Li-O-Ti

OSTI Identifier:: 1297578

DOI:: https://doi.org/10.17188/1297578

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                    The Materials Project. Materials Data on LiLaTi2O6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1297578.

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                    The Materials Project. Materials Data on LiLaTi2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1297578

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                    The Materials Project. 2020.  
"Materials Data on LiLaTi2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1297578.  https://www.osti.gov/servlets/purl/1297578. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1297578,

  title        = {Materials Data on LiLaTi2O6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiLaTi2O6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.12 Å) Li–O bond lengths. La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.48–3.08 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–15°. There is two shorter (1.96 Å) and four longer (1.97 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–12°. There are a spread of Ti–O bond distances ranging from 1.95–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, two equivalent La3+, and two Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, two equivalent La3+, and two Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent La3+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent La3+ and two equivalent Ti4+ atoms.},

  doi          = {10.17188/1297578},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1297578

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