Materials Data on Tb9(SbO)5 by Materials Project

doi:10.17188/1269612

Title: Materials Data on Tb9(SbO)5 by Materials Project

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Abstract

Tb9(SbO)5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted single-bond geometry to five Sb and one O atom. There are a spread of Tb–Sb bond distances ranging from 3.11–3.19 Å. The Tb–O bond length is 2.29 Å. In the second Tb site, Tb is bonded in a distorted single-bond geometry to five Sb and one O atom. There are one shorter (3.16 Å) and four longer (3.18 Å) Tb–Sb bond lengths. The Tb–O bond length is 2.36 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Sb and four O atoms. There are one shorter (3.32 Å) and one longer (3.40 Å) Tb–Sb bond lengths. There are a spread of Tb–O bond distances ranging from 2.21–2.46 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to seven Tb atoms. In the second Sb site, Sb is bonded to five Tb atoms to form SbTb5 square pyramids that share corners with four equivalent OTb4 tetrahedra and a cornercorner with one OTb5 trigonal bipyramid. Theremore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-556920

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; Tb9(SbO)5; O-Sb-Tb

OSTI Identifier:: 1269612

DOI:: https://doi.org/10.17188/1269612

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                    The Materials Project. Materials Data on Tb9(SbO)5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269612.

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                    The Materials Project. Materials Data on Tb9(SbO)5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269612

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                    The Materials Project. 2020.  
"Materials Data on Tb9(SbO)5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269612.  https://www.osti.gov/servlets/purl/1269612. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1269612,

  title        = {Materials Data on Tb9(SbO)5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb9(SbO)5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted single-bond geometry to five Sb and one O atom. There are a spread of Tb–Sb bond distances ranging from 3.11–3.19 Å. The Tb–O bond length is 2.29 Å. In the second Tb site, Tb is bonded in a distorted single-bond geometry to five Sb and one O atom. There are one shorter (3.16 Å) and four longer (3.18 Å) Tb–Sb bond lengths. The Tb–O bond length is 2.36 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Sb and four O atoms. There are one shorter (3.32 Å) and one longer (3.40 Å) Tb–Sb bond lengths. There are a spread of Tb–O bond distances ranging from 2.21–2.46 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to seven Tb atoms. In the second Sb site, Sb is bonded to five Tb atoms to form SbTb5 square pyramids that share corners with four equivalent OTb4 tetrahedra and a cornercorner with one OTb5 trigonal bipyramid. There are two inequivalent O sites. In the first O site, O is bonded to four Tb atoms to form OTb4 tetrahedra that share a cornercorner with one SbTb5 square pyramid, corners with four equivalent OTb4 tetrahedra, a cornercorner with one OTb5 trigonal bipyramid, an edgeedge with one OTb4 tetrahedra, and an edgeedge with one OTb5 trigonal bipyramid. In the second O site, O is bonded to five Tb atoms to form distorted OTb5 trigonal bipyramids that share a cornercorner with one SbTb5 square pyramid, corners with four equivalent OTb4 tetrahedra, and edges with four equivalent OTb4 tetrahedra.},

  doi          = {10.17188/1269612},

  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/10.17188/1269612

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