Materials Data on Sm2As2O5 by Materials Project

doi:10.17188/1316372

Title: Materials Data on Sm2As2O5 by Materials Project

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Abstract

Sm2As2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.24 Å) and one longer (2.40 Å) Sm–O bond lengths. There are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All As–O bond lengths are 2.28 Å. In the second As2+ site, As2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All As–O bond lengths are 2.68 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent As2+ atoms to form a mixture of corner and edge-sharing OSm2As2 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Sm3+ and four equivalent As2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-981808

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; Sm2As2O5; As-O-Sm

OSTI Identifier:: 1316372

DOI:: https://doi.org/10.17188/1316372

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                    The Materials Project. Materials Data on Sm2As2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316372.

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                    The Materials Project. Materials Data on Sm2As2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316372

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                    The Materials Project. 2020.  
"Materials Data on Sm2As2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316372.  https://www.osti.gov/servlets/purl/1316372. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316372,

  title        = {Materials Data on Sm2As2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2As2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.24 Å) and one longer (2.40 Å) Sm–O bond lengths. There are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All As–O bond lengths are 2.28 Å. In the second As2+ site, As2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All As–O bond lengths are 2.68 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent As2+ atoms to form a mixture of corner and edge-sharing OSm2As2 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Sm3+ and four equivalent As2+ atoms.},

  doi          = {10.17188/1316372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316372

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