Materials Data on LaNO6 by Materials Project

doi:10.17188/1679574

Title: Materials Data on LaNO6 by Materials Project

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Abstract

LaNO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one LaNO6 sheet oriented in the (0, 0, 1) direction. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.45–2.84 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one La atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent La and one N atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1223037

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; LaNO6; La-N-O

OSTI Identifier:: 1679574

DOI:: https://doi.org/10.17188/1679574

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                    The Materials Project. Materials Data on LaNO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1679574.

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                    The Materials Project. Materials Data on LaNO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679574

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                    The Materials Project. 2019.  
"Materials Data on LaNO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679574.  https://www.osti.gov/servlets/purl/1679574. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1679574,

  title        = {Materials Data on LaNO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaNO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one LaNO6 sheet oriented in the (0, 0, 1) direction. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.45–2.84 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one La atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent La and one N atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom.},

  doi          = {10.17188/1679574},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1679574

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