Materials Data on TbPO4 by Materials Project

doi:10.17188/1730725

Title: Materials Data on TbPO4 by Materials Project

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Abstract

TbPO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.55 Å. P5+ is bonded to six O2- atoms to form corner-sharing PO6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of P–O bond distances ranging from 1.60–1.88 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent P5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1191716

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; TbPO4; O-P-Tb

OSTI Identifier:: 1730725

DOI:: https://doi.org/10.17188/1730725

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                    The Materials Project. Materials Data on TbPO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730725.

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                    The Materials Project. Materials Data on TbPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730725

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                    The Materials Project. 2020.  
"Materials Data on TbPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730725.  https://www.osti.gov/servlets/purl/1730725. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1730725,

  title        = {Materials Data on TbPO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbPO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.55 Å. P5+ is bonded to six O2- atoms to form corner-sharing PO6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of P–O bond distances ranging from 1.60–1.88 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent P5+ atoms.},

  doi          = {10.17188/1730725},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1730725

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