Materials Data on HfCdO3 by Materials Project

doi:10.17188/1349715

Title: Materials Data on HfCdO3 by Materials Project

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Abstract

CdHfO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.05 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Cd–O bond lengths are 2.90 Å. O2- is bonded in a distorted linear geometry to two equivalent Hf4+ and four equivalent Cd2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1017446

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; HfCdO3; Cd-Hf-O

OSTI Identifier:: 1349715

DOI:: https://doi.org/10.17188/1349715

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                    The Materials Project. Materials Data on HfCdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349715.

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                    The Materials Project. Materials Data on HfCdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349715

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                    The Materials Project. 2020.  
"Materials Data on HfCdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349715.  https://www.osti.gov/servlets/purl/1349715. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1349715,

  title        = {Materials Data on HfCdO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdHfO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.05 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Cd–O bond lengths are 2.90 Å. O2- is bonded in a distorted linear geometry to two equivalent Hf4+ and four equivalent Cd2+ atoms.},

  doi          = {10.17188/1349715},

  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/10.17188/1349715

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