Materials Data on Fe2PO5 by Materials Project

doi:10.17188/1193535

Title: Materials Data on Fe2PO5 by Materials Project

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Abstract

Fe2(PO4)O crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent FeO6 octahedra, corners with four equivalent PO4 tetrahedra, and faces with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.08 Å) and four longer (2.09 Å) Fe–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with eight equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 41°. 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 4-coordinate geometry to four equivalent Fe+2.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Fe+2.50+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-18830

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; Fe2PO5; Fe-O-P

OSTI Identifier:: 1193535

DOI:: https://doi.org/10.17188/1193535

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                    The Materials Project. Materials Data on Fe2PO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193535.

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                    The Materials Project. Materials Data on Fe2PO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193535

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                    The Materials Project. 2020.  
"Materials Data on Fe2PO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193535.  https://www.osti.gov/servlets/purl/1193535. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1193535,

  title        = {Materials Data on Fe2PO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2(PO4)O crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent FeO6 octahedra, corners with four equivalent PO4 tetrahedra, and faces with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.08 Å) and four longer (2.09 Å) Fe–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with eight equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 41°. 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 4-coordinate geometry to four equivalent Fe+2.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Fe+2.50+ and one P5+ atom.},

  doi          = {10.17188/1193535},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193535

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