Materials Data on FePO4 by Materials Project

doi:10.17188/1193930

Title: Materials Data on FePO4 by Materials Project

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Abstract

FePO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.89 Å) Fe–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. All P–O bond lengths are 1.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-19109

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Fe-O-P; FePO4; crystal structure

OSTI Identifier:: 1193930

DOI:: https://doi.org/10.17188/1193930

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                    Materials Data on FePO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193930.

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                    Materials Data on FePO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193930

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                    2020.  
"Materials Data on FePO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193930.  https://www.osti.gov/servlets/purl/1193930. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193930,

  title        = {Materials Data on FePO4 by Materials Project},

  
  abstractNote = {FePO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.89 Å) Fe–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. All P–O bond lengths are 1.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom.},

  doi          = {10.17188/1193930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1193930

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