Materials Data on Yb9Zn4Bi9 by Materials Project

doi:10.17188/1677223

Title: Materials Data on Yb9Zn4Bi9 by Materials Project

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Abstract

Yb9Zn4Bi9 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to four Zn and five Bi atoms. There are two shorter (3.22 Å) and two longer (3.57 Å) Yb–Zn bond lengths. There are a spread of Yb–Bi bond distances ranging from 3.25–3.35 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Zn and six Bi atoms. Both Yb–Zn bond lengths are 3.55 Å. There are two shorter (3.26 Å) and four longer (3.37 Å) Yb–Bi bond lengths. In the third Yb site, Yb is bonded to six Bi atoms to form a mixture of corner and edge-sharing YbBi6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Yb–Bi bond distances ranging from 3.24–3.42 Å. In the fourth Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Zn and six Bi atoms. Both Yb–Zn bond lengths are 3.20 Å. There are a spread of Yb–Bi bond distances ranging from 3.20–3.65 Å. In the fifth Yb site, Yb is bonded in a 7-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1215867

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; Yb9Zn4Bi9; Bi-Yb-Zn

OSTI Identifier:: 1677223

DOI:: https://doi.org/10.17188/1677223

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                    The Materials Project. Materials Data on Yb9Zn4Bi9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677223.

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                    The Materials Project. Materials Data on Yb9Zn4Bi9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677223

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                    The Materials Project. 2019.  
"Materials Data on Yb9Zn4Bi9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677223.  https://www.osti.gov/servlets/purl/1677223. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1677223,

  title        = {Materials Data on Yb9Zn4Bi9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb9Zn4Bi9 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to four Zn and five Bi atoms. There are two shorter (3.22 Å) and two longer (3.57 Å) Yb–Zn bond lengths. There are a spread of Yb–Bi bond distances ranging from 3.25–3.35 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Zn and six Bi atoms. Both Yb–Zn bond lengths are 3.55 Å. There are two shorter (3.26 Å) and four longer (3.37 Å) Yb–Bi bond lengths. In the third Yb site, Yb is bonded to six Bi atoms to form a mixture of corner and edge-sharing YbBi6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Yb–Bi bond distances ranging from 3.24–3.42 Å. In the fourth Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Zn and six Bi atoms. Both Yb–Zn bond lengths are 3.20 Å. There are a spread of Yb–Bi bond distances ranging from 3.20–3.65 Å. In the fifth Yb site, Yb is bonded in a 7-coordinate geometry to one Zn and six Bi atoms. The Yb–Zn bond length is 3.27 Å. There are a spread of Yb–Bi bond distances ranging from 3.26–3.39 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Yb and four Bi atoms. There are a spread of Zn–Bi bond distances ranging from 2.82–2.90 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to six Yb and four Bi atoms. There are a spread of Zn–Bi bond distances ranging from 2.76–3.06 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to five Yb and two equivalent Zn atoms. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to six Yb and two equivalent Zn atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to six Yb and two Zn atoms. In the fourth Bi site, Bi is bonded to six Yb and one Zn atom to form a mixture of distorted corner and edge-sharing BiYb6Zn pentagonal bipyramids. In the fifth Bi site, Bi is bonded in a 7-coordinate geometry to six Yb and two equivalent Zn atoms.},

  doi          = {10.17188/1677223},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677223

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