Materials Data on Sm5Sb3H by Materials Project

doi:10.17188/1200040

Title: Materials Data on Sm5Sb3H by Materials Project

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Abstract

Sm5Sb3H crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded to five equivalent Sb3- and two equivalent H1- atoms to form a mixture of distorted face, edge, and corner-sharing SmSb5H2 pentagonal bipyramids. There are a spread of Sm–Sb bond distances ranging from 3.13–3.40 Å. Both Sm–H bond lengths are 2.82 Å. In the second Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to two equivalent Sm2+ and six equivalent Sb3- atoms. Both Sm–Sm bond lengths are 3.17 Å. All Sm–Sb bond lengths are 3.27 Å. Sb3- is bonded in a 9-coordinate geometry to nine Sm2+ atoms. H1- is bonded to six equivalent Sm2+ atoms to form face-sharing HSm6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-24339

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; Sm5Sb3H; H-Sb-Sm

OSTI Identifier:: 1200040

DOI:: https://doi.org/10.17188/1200040

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                    The Materials Project. Materials Data on Sm5Sb3H by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200040.

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                    The Materials Project. Materials Data on Sm5Sb3H by Materials Project.  United States.  doi:https://doi.org/10.17188/1200040

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                    The Materials Project. 2020.  
"Materials Data on Sm5Sb3H by Materials Project".  United States.  doi:https://doi.org/10.17188/1200040.  https://www.osti.gov/servlets/purl/1200040. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1200040,

  title        = {Materials Data on Sm5Sb3H by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm5Sb3H crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded to five equivalent Sb3- and two equivalent H1- atoms to form a mixture of distorted face, edge, and corner-sharing SmSb5H2 pentagonal bipyramids. There are a spread of Sm–Sb bond distances ranging from 3.13–3.40 Å. Both Sm–H bond lengths are 2.82 Å. In the second Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to two equivalent Sm2+ and six equivalent Sb3- atoms. Both Sm–Sm bond lengths are 3.17 Å. All Sm–Sb bond lengths are 3.27 Å. Sb3- is bonded in a 9-coordinate geometry to nine Sm2+ atoms. H1- is bonded to six equivalent Sm2+ atoms to form face-sharing HSm6 octahedra.},

  doi          = {10.17188/1200040},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200040

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