Materials Data on LaReN3 by Materials Project

doi:10.17188/1316907

Title: Materials Data on LaReN3 by Materials Project

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Abstract

LaReN3 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.37–2.92 Å. Re6+ is bonded to five N3- atoms to form distorted edge-sharing ReN5 trigonal bipyramids. There are a spread of Re–N bond distances ranging from 1.76–2.06 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Re6+ atom. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Re6+ atoms. In the third N3- site, N3- is bonded to two equivalent La3+ and two equivalent Re6+ atoms to form a mixture of distorted corner and edge-sharing NLa2Re2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-989614

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; LaReN3; La-N-Re

OSTI Identifier:: 1316907

DOI:: https://doi.org/10.17188/1316907

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                    The Materials Project. Materials Data on LaReN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316907.

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                    The Materials Project. Materials Data on LaReN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316907

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                    The Materials Project. 2020.  
"Materials Data on LaReN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316907.  https://www.osti.gov/servlets/purl/1316907. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1316907,

  title        = {Materials Data on LaReN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaReN3 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.37–2.92 Å. Re6+ is bonded to five N3- atoms to form distorted edge-sharing ReN5 trigonal bipyramids. There are a spread of Re–N bond distances ranging from 1.76–2.06 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Re6+ atom. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Re6+ atoms. In the third N3- site, N3- is bonded to two equivalent La3+ and two equivalent Re6+ atoms to form a mixture of distorted corner and edge-sharing NLa2Re2 trigonal pyramids.},

  doi          = {10.17188/1316907},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1316907

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