Materials Data on Sm2Hf2O7 by Materials Project

doi:10.17188/1206967

Title: Materials Data on Sm2Hf2O7 by Materials Project

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Abstract

Sm2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.30 Å) and six longer (2.57 Å) Sm–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Hf–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded to four equivalent Sm3+ atoms to form corner-sharing OSm4 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-35249

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; Sm2Hf2O7; Hf-O-Sm

OSTI Identifier:: 1206967

DOI:: https://doi.org/10.17188/1206967

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                    The Materials Project. Materials Data on Sm2Hf2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206967.

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                    The Materials Project. Materials Data on Sm2Hf2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206967

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                    The Materials Project. 2020.  
"Materials Data on Sm2Hf2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206967.  https://www.osti.gov/servlets/purl/1206967. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1206967,

  title        = {Materials Data on Sm2Hf2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.30 Å) and six longer (2.57 Å) Sm–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Hf–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded to four equivalent Sm3+ atoms to form corner-sharing OSm4 tetrahedra.},

  doi          = {10.17188/1206967},

  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/10.17188/1206967

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