Materials Data on LiY2Ti2S2O5 by Materials Project

doi:10.17188/1280462

Title: Materials Data on LiY2Ti2S2O5 by Materials Project

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Abstract

LiY2Ti2S2O5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.98 Å) and two longer (2.08 Å) Li–O bond lengths. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four O2- atoms. There are four shorter (2.90 Å) and one longer (2.91 Å) Y–S bond lengths. There are two shorter (2.42 Å) and two longer (2.51 Å) Y–O bond lengths. Ti+3.50+ is bonded to one S2- and five O2- atoms to form distorted corner-sharing TiSO5 trigonal bipyramids. The Ti–S bond length is 2.67 Å. There are a spread of Ti–O bond distances ranging from 1.90–1.99 Å. S2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one Ti+3.50+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti+3.50+ atoms. In the second O2- site, O2- is bonded to one Li1+, two equivalent Y3+, and two equivalent Ti+3.50+ atoms to form distorted corner-sharing OLiY2Ti2 trigonal bipyramids. In the third O2- site, O2- is bonded in a square co-planar geometry to twomore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-644527

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; LiY2Ti2S2O5; Li-O-S-Ti-Y

OSTI Identifier:: 1280462

DOI:: https://doi.org/10.17188/1280462

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                    The Materials Project. Materials Data on LiY2Ti2S2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280462.

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                    The Materials Project. Materials Data on LiY2Ti2S2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280462

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                    The Materials Project. 2020.  
"Materials Data on LiY2Ti2S2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280462.  https://www.osti.gov/servlets/purl/1280462. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1280462,

  title        = {Materials Data on LiY2Ti2S2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiY2Ti2S2O5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.98 Å) and two longer (2.08 Å) Li–O bond lengths. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four O2- atoms. There are four shorter (2.90 Å) and one longer (2.91 Å) Y–S bond lengths. There are two shorter (2.42 Å) and two longer (2.51 Å) Y–O bond lengths. Ti+3.50+ is bonded to one S2- and five O2- atoms to form distorted corner-sharing TiSO5 trigonal bipyramids. The Ti–S bond length is 2.67 Å. There are a spread of Ti–O bond distances ranging from 1.90–1.99 Å. S2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one Ti+3.50+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti+3.50+ atoms. In the second O2- site, O2- is bonded to one Li1+, two equivalent Y3+, and two equivalent Ti+3.50+ atoms to form distorted corner-sharing OLiY2Ti2 trigonal bipyramids. In the third O2- site, O2- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Ti+3.50+ atoms.},

  doi          = {10.17188/1280462},

  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/10.17188/1280462

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