Materials Data on Gd2S3 by Materials Project

doi:10.17188/1281646

Title: Materials Data on Gd2S3 by Materials Project

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Abstract

Gd2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–3.24 Å. In the second Gd3+ site, Gd3+ is bonded to seven S2- atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.76–2.91 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Gd3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-669509

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; Gd2S3; Gd-S

OSTI Identifier:: 1281646

DOI:: https://doi.org/10.17188/1281646

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                    The Materials Project. Materials Data on Gd2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281646.

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                    The Materials Project. Materials Data on Gd2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281646

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                    The Materials Project. 2020.  
"Materials Data on Gd2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281646.  https://www.osti.gov/servlets/purl/1281646. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1281646,

  title        = {Materials Data on Gd2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–3.24 Å. In the second Gd3+ site, Gd3+ is bonded to seven S2- atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.76–2.91 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Gd3+ atoms.},

  doi          = {10.17188/1281646},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281646

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