Materials Data on BaLaEuZnO5 by Materials Project

doi:10.17188/1685888

Title: Materials Data on BaLaEuZnO5 by Materials Project

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Abstract

BaEuLaZnO5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.92–2.97 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.69 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.70 Å. Zn2+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, one Eu3+, two equivalent La3+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Eu3+, one La3+, and one Zn2+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, two equivalent Eu3+, and two equivalent La3+ atoms to form corner-sharing OBa2La2Eu2 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1227966

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; BaLaEuZnO5; Ba-Eu-La-O-Zn

OSTI Identifier:: 1685888

DOI:: https://doi.org/10.17188/1685888

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                    The Materials Project. Materials Data on BaLaEuZnO5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685888.

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                    The Materials Project. Materials Data on BaLaEuZnO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685888

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                    The Materials Project. 2019.  
"Materials Data on BaLaEuZnO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685888.  https://www.osti.gov/servlets/purl/1685888. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1685888,

  title        = {Materials Data on BaLaEuZnO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaEuLaZnO5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.92–2.97 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.69 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.70 Å. Zn2+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, one Eu3+, two equivalent La3+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Eu3+, one La3+, and one Zn2+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, two equivalent Eu3+, and two equivalent La3+ atoms to form corner-sharing OBa2La2Eu2 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.},

  doi          = {10.17188/1685888},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685888

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