Materials Data on BaHo2NiO5 by Materials Project

doi:10.17188/1194006

Title: Materials Data on BaHo2NiO5 by Materials Project

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Abstract

Ho2BaNiO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.89 Å) and eight longer (2.96 Å) Ba–O bond lengths. Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.42 Å. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.21 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, two equivalent Ho3+, and two equivalent Ni2+ atoms to form distorted corner-sharing OBa2Ho2Ni2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Ho3+, and one Ni2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-24

Other Number(s):: mp-19181

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; BaHo2NiO5; Ba-Ho-Ni-O

OSTI Identifier:: 1194006

DOI:: https://doi.org/10.17188/1194006

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                    The Materials Project. Materials Data on BaHo2NiO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194006.

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                    The Materials Project. Materials Data on BaHo2NiO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194006

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                    The Materials Project. 2020.  
"Materials Data on BaHo2NiO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194006.  https://www.osti.gov/servlets/purl/1194006. Pub date:Fri Apr 24 00:00:00 EDT 2020

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@article{osti_1194006,

  title        = {Materials Data on BaHo2NiO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2BaNiO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.89 Å) and eight longer (2.96 Å) Ba–O bond lengths. Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.42 Å. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.21 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, two equivalent Ho3+, and two equivalent Ni2+ atoms to form distorted corner-sharing OBa2Ho2Ni2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Ho3+, and one Ni2+ atom.},

  doi          = {10.17188/1194006},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1194006

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