Materials Data on Gd2S3 by Materials Project

doi:10.17188/1283976

Title: Materials Data on Gd2S3 by Materials Project

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Abstract

Gd2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three 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 2.78–3.01 Å. In the second Gd3+ site, Gd3+ is bonded to eight S2- atoms to form distorted edge-sharing GdS8 hexagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.80–3.08 Å. In the third 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 2.77–3.18 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 corner, edge, and face-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Gd3+ atoms. In the third S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted corner, edge, and face-sharing SGd5 square pyramids.

Authors:: The Materials Project

Publication Date:: Wed Feb 26 00:00:00 EST 2014

Other Number(s):: mp-684712

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:: 1283976

DOI:: https://doi.org/10.17188/1283976

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                    The Materials Project. Materials Data on Gd2S3 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1283976.

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                    The Materials Project. Materials Data on Gd2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283976

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                    The Materials Project. 2014.  
"Materials Data on Gd2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283976.  https://www.osti.gov/servlets/purl/1283976. Pub date:Wed Feb 26 00:00:00 EST 2014

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@article{osti_1283976,

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

  author       = {The Materials Project},

  abstractNote = {Gd2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three 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 2.78–3.01 Å. In the second Gd3+ site, Gd3+ is bonded to eight S2- atoms to form distorted edge-sharing GdS8 hexagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.80–3.08 Å. In the third 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 2.77–3.18 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 corner, edge, and face-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Gd3+ atoms. In the third S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted corner, edge, and face-sharing SGd5 square pyramids.},

  doi          = {10.17188/1283976},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Feb 26 00:00:00 EST 2014},

  month        = {Wed Feb 26 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1283976

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