Materials Data on NdCoAsO by Materials Project

doi:10.17188/1685275

Title: Materials Data on NdCoAsO by Materials Project

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Abstract

NdOCoAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CoAs sheet oriented in the (0, 0, 1) direction and one NdO sheet oriented in the (0, 0, 1) direction. In the CoAs sheet, Co2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.31 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Co2+ atoms. In the NdO sheet, Nd3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Nd–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1086665

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; NdCoAsO; As-Co-Nd-O

OSTI Identifier:: 1685275

DOI:: https://doi.org/10.17188/1685275

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                    The Materials Project. Materials Data on NdCoAsO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685275.

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                    The Materials Project. Materials Data on NdCoAsO by Materials Project.  United States.  doi:https://doi.org/10.17188/1685275

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                    The Materials Project. 2020.  
"Materials Data on NdCoAsO by Materials Project".  United States.  doi:https://doi.org/10.17188/1685275.  https://www.osti.gov/servlets/purl/1685275. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685275,

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

  author       = {The Materials Project},

  abstractNote = {NdOCoAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CoAs sheet oriented in the (0, 0, 1) direction and one NdO sheet oriented in the (0, 0, 1) direction. In the CoAs sheet, Co2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.31 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Co2+ atoms. In the NdO sheet, Nd3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Nd–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.},

  doi          = {10.17188/1685275},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685275

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