Materials Data on La2Cu2O5 by Materials Project

doi:10.17188/1476052

Title: Materials Data on La2Cu2O5 by Materials Project

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Abstract

La2Cu2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.85 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent CuO6 octahedra and corners with two equivalent CuO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 11°. There are a spread of Cu–O bond distances ranging from 1.93–2.24 Å. In the second Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 trigonal pyramids that share corners with two equivalent CuO6 octahedra and corners with two equivalent CuO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 27°. There are a spread of Cu–O bond distances ranging from 1.92–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two Cu2+ atoms. In the third O2- site, O2- is bonded tomore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1076053

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; La2Cu2O5; Cu-La-O

OSTI Identifier:: 1476052

DOI:: https://doi.org/10.17188/1476052

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                    The Materials Project. Materials Data on La2Cu2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1476052.

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                    The Materials Project. Materials Data on La2Cu2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1476052

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                    The Materials Project. 2020.  
"Materials Data on La2Cu2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1476052.  https://www.osti.gov/servlets/purl/1476052. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1476052,

  title        = {Materials Data on La2Cu2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Cu2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.85 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent CuO6 octahedra and corners with two equivalent CuO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 11°. There are a spread of Cu–O bond distances ranging from 1.93–2.24 Å. In the second Cu2+ site, Cu2+ is bonded to four O2- atoms to form CuO4 trigonal pyramids that share corners with two equivalent CuO6 octahedra and corners with two equivalent CuO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 27°. There are a spread of Cu–O bond distances ranging from 1.92–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two Cu2+ atoms. In the third O2- site, O2- is bonded to two equivalent La3+ and two equivalent Cu2+ atoms to form corner-sharing OLa2Cu2 tetrahedra.},

  doi          = {10.17188/1476052},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1476052

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