Materials Data on Ce2SnS5 by Materials Project

doi:10.17188/1672343

Title: Materials Data on Ce2SnS5 by Materials Project

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Abstract

Ce2SnS5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.80–3.29 Å. Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are two shorter (2.59 Å) and four longer (2.63 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Ce3+ atoms. In the second S2- site, S2- is bonded to four equivalent Ce3+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing SCe4Sn square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Sn4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1106406

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; Ce2SnS5; Ce-S-Sn

OSTI Identifier:: 1672343

DOI:: https://doi.org/10.17188/1672343

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                    The Materials Project. Materials Data on Ce2SnS5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672343.

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                    The Materials Project. Materials Data on Ce2SnS5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672343

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                    The Materials Project. 2020.  
"Materials Data on Ce2SnS5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672343.  https://www.osti.gov/servlets/purl/1672343. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1672343,

  title        = {Materials Data on Ce2SnS5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2SnS5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.80–3.29 Å. Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are two shorter (2.59 Å) and four longer (2.63 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Ce3+ atoms. In the second S2- site, S2- is bonded to four equivalent Ce3+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing SCe4Sn square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Sn4+ atoms.},

  doi          = {10.17188/1672343},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672343

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