Materials Data on Y2N6O25 by Materials Project

doi:10.17188/1652809

Title: Materials Data on Y2N6O25 by Materials Project

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Abstract

Y(N2O7)2YN2O11 crystallizes in the orthorhombic C222_1 space group. The structure is zero-dimensional and consists of four Y(N2O7)2 clusters and four YN2O11 clusters. In each Y(N2O7)2 cluster, Y is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Y–O bond distances ranging from 2.35–2.57 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 is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.21 Å) and two longer (1.30 Å) N–O bond length. In the third 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 1.24–1.28 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1203981

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; Y2N6O25; N-O-Y

OSTI Identifier:: 1652809

DOI:: https://doi.org/10.17188/1652809

Citation Formats


                    The Materials Project. Materials Data on Y2N6O25 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652809.

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                    The Materials Project. Materials Data on Y2N6O25 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652809

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                    The Materials Project. 2020.  
"Materials Data on Y2N6O25 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652809.  https://www.osti.gov/servlets/purl/1652809. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1652809,

  title        = {Materials Data on Y2N6O25 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y(N2O7)2YN2O11 crystallizes in the orthorhombic C222_1 space group. The structure is zero-dimensional and consists of four Y(N2O7)2 clusters and four YN2O11 clusters. In each Y(N2O7)2 cluster, Y is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Y–O bond distances ranging from 2.35–2.57 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 is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.21 Å) and two longer (1.30 Å) N–O bond length. In the third 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 1.24–1.28 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one Y 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 single-bond geometry to one Y and one N atom. In the seventh O site, O is bonded in a distorted water-like 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 each YN2O11 cluster, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.28–2.54 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.29 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one Y atom. In the third O site, O is bonded in a single-bond geometry to one Y atom. In the fourth O site, O is bonded in a single-bond geometry to one Y atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Y and one N atom.},

  doi          = {10.17188/1652809},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1652809

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