Materials Data on Na3TbV2O8 by Materials Project

doi:10.17188/1743985

Title: Materials Data on Na3TbV2O8 by Materials Project

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Abstract

Na3TbV2O8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted single-bond geometry to one O2- atom. The Na–O bond length is 2.18 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.84 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Tb–O bond lengths are 2.25 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent TbO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.68 Å) and three longer (1.76 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Na1+ and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tb3+, and one V5+ atom.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1210350

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; Na3TbV2O8; Na-O-Tb-V

OSTI Identifier:: 1743985

DOI:: https://doi.org/10.17188/1743985

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                    The Materials Project. Materials Data on Na3TbV2O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743985.

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                    The Materials Project. Materials Data on Na3TbV2O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743985

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                    The Materials Project. 2020.  
"Materials Data on Na3TbV2O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743985.  https://www.osti.gov/servlets/purl/1743985. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1743985,

  title        = {Materials Data on Na3TbV2O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3TbV2O8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted single-bond geometry to one O2- atom. The Na–O bond length is 2.18 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.84 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Tb–O bond lengths are 2.25 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent TbO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.68 Å) and three longer (1.76 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Na1+ and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tb3+, and one V5+ atom.},

  doi          = {10.17188/1743985},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1743985

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