Materials Data on Ac2S3 by Materials Project

doi:10.17188/1206386

Title: Materials Data on Ac2S3 by Materials Project

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Abstract

Ac2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ac3+ sites. In the first Ac3+ site, Ac3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ac–S bond distances ranging from 2.99–3.46 Å. In the second Ac3+ site, Ac3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing AcS8 hexagonal bipyramids. There are a spread of Ac–S bond distances ranging from 3.01–3.23 Å. In the third Ac3+ site, Ac3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing AcS8 hexagonal bipyramids. There are a spread of Ac–S bond distances ranging from 3.03–3.28 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ac3+ atoms. In the second S2- site, S2- is bonded to five Ac3+ atoms to form a mixture of distorted corner, edge, and face-sharing SAc5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Ac3+ atoms to form a mixture of distorted corner, edge, and face-sharing SAc5 square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-32800

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; Ac2S3; Ac-S

OSTI Identifier:: 1206386

DOI:: https://doi.org/10.17188/1206386

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                    The Materials Project. Materials Data on Ac2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206386.

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                    The Materials Project. Materials Data on Ac2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206386

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                    The Materials Project. 2020.  
"Materials Data on Ac2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206386.  https://www.osti.gov/servlets/purl/1206386. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1206386,

  title        = {Materials Data on Ac2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ac2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ac3+ sites. In the first Ac3+ site, Ac3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ac–S bond distances ranging from 2.99–3.46 Å. In the second Ac3+ site, Ac3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing AcS8 hexagonal bipyramids. There are a spread of Ac–S bond distances ranging from 3.01–3.23 Å. In the third Ac3+ site, Ac3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing AcS8 hexagonal bipyramids. There are a spread of Ac–S bond distances ranging from 3.03–3.28 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ac3+ atoms. In the second S2- site, S2- is bonded to five Ac3+ atoms to form a mixture of distorted corner, edge, and face-sharing SAc5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Ac3+ atoms to form a mixture of distorted corner, edge, and face-sharing SAc5 square pyramids.},

  doi          = {10.17188/1206386},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1206386

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