Materials Data on Pr2Cu2O5 by Materials Project

doi:10.17188/1751213

Title: Materials Data on Pr2Cu2O5 by Materials Project

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Abstract

Pr2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pr3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–3.08 Å. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.92–2.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded to four equivalent Pr3+ and two equivalent Cu2+ atoms to form distorted edge-sharing OPr4Cu2 octahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1188871

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; Pr2Cu2O5; Cu-O-Pr

OSTI Identifier:: 1751213

DOI:: https://doi.org/10.17188/1751213

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                    The Materials Project. Materials Data on Pr2Cu2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751213.

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                    The Materials Project. Materials Data on Pr2Cu2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751213

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                    The Materials Project. 2020.  
"Materials Data on Pr2Cu2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751213.  https://www.osti.gov/servlets/purl/1751213. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751213,

  title        = {Materials Data on Pr2Cu2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pr3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–3.08 Å. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.92–2.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded to four equivalent Pr3+ and two equivalent Cu2+ atoms to form distorted edge-sharing OPr4Cu2 octahedra.},

  doi          = {10.17188/1751213},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751213

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