Materials Data on LiNd(SO4)2 by Materials Project

doi:10.17188/1685715

Title: Materials Data on LiNd(SO4)2 by Materials Project

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Abstract

LiNd(SO4)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.90 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.53 Å) Nd–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.52 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Nd3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Nd3+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1211135

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; LiNd(SO4)2; Li-Nd-O-S

OSTI Identifier:: 1685715

DOI:: https://doi.org/10.17188/1685715

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                    The Materials Project. Materials Data on LiNd(SO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685715.

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                    The Materials Project. Materials Data on LiNd(SO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685715

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                    The Materials Project. 2020.  
"Materials Data on LiNd(SO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685715.  https://www.osti.gov/servlets/purl/1685715. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1685715,

  title        = {Materials Data on LiNd(SO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiNd(SO4)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.90 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.53 Å) Nd–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.52 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Nd3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Nd3+ and one S6+ atom.},

  doi          = {10.17188/1685715},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1685715

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