Materials Data on LaNb7O19 by Materials Project

doi:10.17188/1202333

Title: Materials Data on LaNb7O19 by Materials Project

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Abstract

LaNb7O19 crystallizes in the trigonal P321 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 2.47–2.69 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are three shorter (1.96 Å) and three longer (2.09 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nb–O bond distances ranging from 1.88–2.51 Å. In the third Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.00–2.05 Å. In the fourth Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.98–2.10 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalentmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-28200

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; LaNb7O19; La-Nb-O

OSTI Identifier:: 1202333

DOI:: https://doi.org/10.17188/1202333

Citation Formats


                    The Materials Project. Materials Data on LaNb7O19 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202333.

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                    The Materials Project. Materials Data on LaNb7O19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202333

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                    The Materials Project. 2020.  
"Materials Data on LaNb7O19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202333.  https://www.osti.gov/servlets/purl/1202333. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202333,

  title        = {Materials Data on LaNb7O19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaNb7O19 crystallizes in the trigonal P321 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 2.47–2.69 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are three shorter (1.96 Å) and three longer (2.09 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nb–O bond distances ranging from 1.88–2.51 Å. In the third Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.00–2.05 Å. In the fourth Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.98–2.10 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one La3+ and three equivalent Nb5+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+ and three equivalent Nb5+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms.},

  doi          = {10.17188/1202333},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202333

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