Materials Data on LaPbNO5 by Materials Project

doi:10.17188/1711659

Title: Materials Data on LaPbNO5 by Materials Project

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Abstract

LaPbNO5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two LaPbNO5 sheets oriented in the (1, 0, 0) direction. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.87 Å. Pb2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.54 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Pb2+ atoms to form a mixture of edge and corner-sharing OLa2Pb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing OLa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one N5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1225594

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; LaPbNO5; La-N-O-Pb

OSTI Identifier:: 1711659

DOI:: https://doi.org/10.17188/1711659

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                    The Materials Project. Materials Data on LaPbNO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711659.

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                    The Materials Project. Materials Data on LaPbNO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711659

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                    The Materials Project. 2020.  
"Materials Data on LaPbNO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711659.  https://www.osti.gov/servlets/purl/1711659. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1711659,

  title        = {Materials Data on LaPbNO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaPbNO5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two LaPbNO5 sheets oriented in the (1, 0, 0) direction. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.87 Å. Pb2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.54 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Pb2+ atoms to form a mixture of edge and corner-sharing OLa2Pb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing OLa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one N5+ atom.},

  doi          = {10.17188/1711659},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711659

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