Materials Data on Sm2Fe2O5 by Materials Project

doi:10.17188/1738428

Title: Materials Data on Sm2Fe2O5 by Materials Project

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Abstract

Sm2Fe2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.27–2.63 Å. In the second Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.25–2.81 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to five O2- atoms to form distorted corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.97–2.36 Å. In the second Fe2+ site, Fe2+ is bonded to five O2- atoms to form corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 2.05–2.19 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sm3+ and two equivalent Fe2+ atoms. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Fe2+ atoms to form distorted corner-sharing OSm2Fe2 trigonal pyramids. In the third O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1094126

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; Sm2Fe2O5; Fe-O-Sm

OSTI Identifier:: 1738428

DOI:: https://doi.org/10.17188/1738428

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                    The Materials Project. Materials Data on Sm2Fe2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738428.

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                    The Materials Project. Materials Data on Sm2Fe2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738428

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                    The Materials Project. 2020.  
"Materials Data on Sm2Fe2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738428.  https://www.osti.gov/servlets/purl/1738428. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738428,

  title        = {Materials Data on Sm2Fe2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2Fe2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.27–2.63 Å. In the second Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.25–2.81 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to five O2- atoms to form distorted corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.97–2.36 Å. In the second Fe2+ site, Fe2+ is bonded to five O2- atoms to form corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 2.05–2.19 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sm3+ and two equivalent Fe2+ atoms. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Fe2+ atoms to form distorted corner-sharing OSm2Fe2 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sm3+ and two Fe2+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sm3+ and two equivalent Fe2+ atoms. In the fifth O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sm3+ and two equivalent Fe2+ atoms.},

  doi          = {10.17188/1738428},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738428

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