Materials Data on YbCrSb3 by Materials Project

doi:10.17188/1195024

Title: Materials Data on YbCrSb3 by Materials Project

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Abstract

YbCrSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Yb3+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.25–3.37 Å. Cr6+ is bonded to six Sb3- atoms to form a mixture of face, edge, and corner-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Cr–Sb bond distances ranging from 2.69–2.73 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Sb3- atoms. There are two shorter (3.01 Å) and two longer (3.11 Å) Sb–Sb bond lengths. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to one Yb3+, four equivalent Cr6+, and one Sb3- atom. The Sb–Sb bond length is 3.14 Å. In the third Sb3- site, Sb3- is bonded in a 7-coordinate geometry to four equivalent Yb3+, two equivalent Cr6+, and one Sb3- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-19829

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; YbCrSb3; Cr-Sb-Yb

OSTI Identifier:: 1195024

DOI:: https://doi.org/10.17188/1195024

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                    The Materials Project. Materials Data on YbCrSb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195024.

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                    The Materials Project. Materials Data on YbCrSb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195024

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                    The Materials Project. 2020.  
"Materials Data on YbCrSb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195024.  https://www.osti.gov/servlets/purl/1195024. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1195024,

  title        = {Materials Data on YbCrSb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbCrSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Yb3+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.25–3.37 Å. Cr6+ is bonded to six Sb3- atoms to form a mixture of face, edge, and corner-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Cr–Sb bond distances ranging from 2.69–2.73 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Sb3- atoms. There are two shorter (3.01 Å) and two longer (3.11 Å) Sb–Sb bond lengths. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to one Yb3+, four equivalent Cr6+, and one Sb3- atom. The Sb–Sb bond length is 3.14 Å. In the third Sb3- site, Sb3- is bonded in a 7-coordinate geometry to four equivalent Yb3+, two equivalent Cr6+, and one Sb3- atom.},

  doi          = {10.17188/1195024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195024

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