Materials Data on SmCoSb3 by Materials Project

doi:10.17188/1274963

Title: Materials Data on SmCoSb3 by Materials Project

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Abstract

SmCoSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.19–3.34 Å. In the second Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.20–3.43 Å. Co1+ is bonded to six Sb1- atoms to form a mixture of corner, edge, and face-sharing CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of Co–Sb bond distances ranging from 2.58–2.65 Å. There are five inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Sm2+ and two equivalent Co1+ atoms. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to four Sm2+ and four equivalent Sb1- atoms. There are a spread of Sb–Sb bond distances ranging from 3.02–3.09 Å. In the third Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four Sm2+, two equivalent Co1+, and one Sb1- atom. The Sb–Sb bond length is 3.12 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-569163

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; SmCoSb3; Co-Sb-Sm

OSTI Identifier:: 1274963

DOI:: https://doi.org/10.17188/1274963

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                    The Materials Project. Materials Data on SmCoSb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274963.

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                    The Materials Project. Materials Data on SmCoSb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274963

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                    The Materials Project. 2020.  
"Materials Data on SmCoSb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274963.  https://www.osti.gov/servlets/purl/1274963. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274963,

  title        = {Materials Data on SmCoSb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmCoSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.19–3.34 Å. In the second Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.20–3.43 Å. Co1+ is bonded to six Sb1- atoms to form a mixture of corner, edge, and face-sharing CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of Co–Sb bond distances ranging from 2.58–2.65 Å. There are five inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Sm2+ and two equivalent Co1+ atoms. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to four Sm2+ and four equivalent Sb1- atoms. There are a spread of Sb–Sb bond distances ranging from 3.02–3.09 Å. In the third Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four Sm2+, two equivalent Co1+, and one Sb1- atom. The Sb–Sb bond length is 3.12 Å. In the fourth Sb1- site, Sb1- is bonded in a 5-coordinate geometry to one Sm2+, four equivalent Co1+, and one Sb1- atom. In the fifth Sb1- site, Sb1- is bonded in a 5-coordinate geometry to one Sm2+ and four equivalent Co1+ atoms.},

  doi          = {10.17188/1274963},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274963

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