Materials Data on YN3O14 by Materials Project

doi:10.17188/1705820

Title: Materials Data on YN3O14 by Materials Project

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Abstract

YN3O14 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one YN3O14 cluster. Y is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Y–O bond distances ranging from 2.32–2.61 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Y and one O atom. The O–O bond length is 2.07 Å. In the second O site, O is bonded in a distorted water-like geometry to two O atoms. The O–O bond length is 2.02 Å. In the third O site, O is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1197379

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; YN3O14; N-O-Y

OSTI Identifier:: 1705820

DOI:: https://doi.org/10.17188/1705820

Citation Formats


                    The Materials Project. Materials Data on YN3O14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705820.

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                    The Materials Project. Materials Data on YN3O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705820

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                    The Materials Project. 2020.  
"Materials Data on YN3O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705820.  https://www.osti.gov/servlets/purl/1705820. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1705820,

  title        = {Materials Data on YN3O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YN3O14 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one YN3O14 cluster. Y is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Y–O bond distances ranging from 2.32–2.61 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Y and one O atom. The O–O bond length is 2.07 Å. In the second O site, O is bonded in a distorted water-like geometry to two O atoms. The O–O bond length is 2.02 Å. In the third O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. 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 distorted water-like geometry to one Y and one N atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the tenth O site, O is bonded in a distorted water-like geometry to one Y and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to one N atom. In the twelfth O site, O is bonded in a single-bond geometry to one Y atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Y and one O atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Y atom.},

  doi          = {10.17188/1705820},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705820

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