Materials Data on YO2 by Materials Project

doi:10.17188/1698803

Title: Materials Data on YO2 by Materials Project

Dataset
Other Related Research

Abstract

YO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y is bonded to six O atoms to form a mixture of distorted edge and corner-sharing YO6 pentagonal pyramids. There are a spread of Y–O bond distances ranging from 2.24–2.34 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three equivalent Y atoms.

Publication Date:: 2018-07-18

Other Number(s):: mp-1102883

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; O-Y; YO2; crystal structure

OSTI Identifier:: 1698803

DOI:: https://doi.org/10.17188/1698803

Citation Formats


                    Materials Data on YO2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1698803.

Copy to clipboard


                    Materials Data on YO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698803

Copy to clipboard


                    2018.  
"Materials Data on YO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698803.  https://www.osti.gov/servlets/purl/1698803. Pub date:Wed Jul 18 00:00:00 EDT 2018

Copy to clipboard


                    
@article{osti_1698803,

  title        = {Materials Data on YO2 by Materials Project},

  
  abstractNote = {YO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y is bonded to six O atoms to form a mixture of distorted edge and corner-sharing YO6 pentagonal pyramids. There are a spread of Y–O bond distances ranging from 2.24–2.34 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three equivalent Y atoms.},

  doi          = {10.17188/1698803},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1698803

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on YO2 by Materials Project

Dataset

YO2 is Baddeleyite-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.26–2.46 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Y atoms. In the second O site, O is bonded to four equivalent Y atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.
Materials Data on YO2 by Materials Project

Dataset

YO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.25 Å) and two longer (2.33 Å) Y–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y atoms.
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.

Similar Records