Materials Data on YSe2NO11 by Materials Project

doi:10.17188/1740648

Title: Materials Data on YSe2NO11 by Materials Project

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Abstract

YNSe2O11 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of two YNSe2O11 sheets oriented in the (0, 0, 1) direction. Y is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.30–2.67 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.27 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.70 Å) and one longer (1.85 Å) Se–O bond length. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.69–1.85 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Y and one Se 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 fourthmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1197693

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; YSe2NO11; N-O-Se-Y

OSTI Identifier:: 1740648

DOI:: https://doi.org/10.17188/1740648

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                    The Materials Project. Materials Data on YSe2NO11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740648.

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                    The Materials Project. Materials Data on YSe2NO11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740648

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                    The Materials Project. 2020.  
"Materials Data on YSe2NO11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740648.  https://www.osti.gov/servlets/purl/1740648. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1740648,

  title        = {Materials Data on YSe2NO11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YNSe2O11 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of two YNSe2O11 sheets oriented in the (0, 0, 1) direction. Y is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.30–2.67 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.27 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.70 Å) and one longer (1.85 Å) Se–O bond length. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.69–1.85 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Y and one Se 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 bent 120 degrees geometry to one Y and one Se atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Y and one Se atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two Se atoms. In the tenth O site, O is bonded in a single-bond geometry to one N atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Y and one Se atom.},

  doi          = {10.17188/1740648},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1740648

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