Materials Data on HfSnS3 by Materials Project

doi:10.17188/1312614

Title: Materials Data on HfSnS3 by Materials Project

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Abstract

SnHfS3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SnHfS3 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded to six S2- atoms to form edge-sharing HfS6 octahedra. There are a spread of Hf–S bond distances ranging from 2.53–2.58 Å. Sn2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are two shorter (2.62 Å) and one longer (2.72 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Hf4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Sn2+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Sn2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-8725

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; HfSnS3; Hf-S-Sn

OSTI Identifier:: 1312614

DOI:: https://doi.org/10.17188/1312614

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                    The Materials Project. Materials Data on HfSnS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312614.

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                    The Materials Project. Materials Data on HfSnS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312614

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                    The Materials Project. 2020.  
"Materials Data on HfSnS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312614.  https://www.osti.gov/servlets/purl/1312614. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1312614,

  title        = {Materials Data on HfSnS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnHfS3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SnHfS3 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded to six S2- atoms to form edge-sharing HfS6 octahedra. There are a spread of Hf–S bond distances ranging from 2.53–2.58 Å. Sn2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are two shorter (2.62 Å) and one longer (2.72 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Hf4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Sn2+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Sn2+ atoms.},

  doi          = {10.17188/1312614},

  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/10.17188/1312614

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