Materials Data on SmHfO14 by Materials Project

doi:10.17188/1705902

Title: Materials Data on SmHfO14 by Materials Project

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Abstract

SmHfO14 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm is bonded to sixteen O atoms to form SmO16 tetrahedra that share corners with four equivalent SmO16 tetrahedra and faces with four equivalent HfO12 cuboctahedra. There are four shorter (2.32 Å) and twelve longer (2.89 Å) Sm–O bond lengths. Hf is bonded to twelve equivalent O atoms to form HfO12 cuboctahedra that share faces with four equivalent SmO16 tetrahedra. All Hf–O bond lengths are 2.30 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Sm, one Hf, and four equivalent O atoms. There is two shorter (1.88 Å) and two longer (1.99 Å) O–O bond length. In the second O site, O is bonded in a linear geometry to two equivalent Sm atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1209680

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; SmHfO14; Hf-O-Sm

OSTI Identifier:: 1705902

DOI:: https://doi.org/10.17188/1705902

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                    The Materials Project. Materials Data on SmHfO14 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1705902.

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                    The Materials Project. Materials Data on SmHfO14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705902

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                    The Materials Project. 2019.  
"Materials Data on SmHfO14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705902.  https://www.osti.gov/servlets/purl/1705902. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1705902,

  title        = {Materials Data on SmHfO14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmHfO14 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm is bonded to sixteen O atoms to form SmO16 tetrahedra that share corners with four equivalent SmO16 tetrahedra and faces with four equivalent HfO12 cuboctahedra. There are four shorter (2.32 Å) and twelve longer (2.89 Å) Sm–O bond lengths. Hf is bonded to twelve equivalent O atoms to form HfO12 cuboctahedra that share faces with four equivalent SmO16 tetrahedra. All Hf–O bond lengths are 2.30 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Sm, one Hf, and four equivalent O atoms. There is two shorter (1.88 Å) and two longer (1.99 Å) O–O bond length. In the second O site, O is bonded in a linear geometry to two equivalent Sm atoms.},

  doi          = {10.17188/1705902},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1705902

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