Materials Data on YSbO3 by Materials Project

doi:10.17188/1320578

Title: Materials Data on YSbO3 by Materials Project

Dataset
Other Related Research

Abstract

YSbO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are six shorter (2.38 Å) and one longer (2.62 Å) Y–O bond lengths. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.52 Å. Sb3+ is bonded to five O2- atoms to form corner-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 2.20–2.23 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three equivalent Sb3+ atoms to form distorted OYSb3 trigonal pyramids that share corners with nine OYSb3 tetrahedra, corners with three equivalent OYSb3 trigonal pyramids, and edges with three equivalent OY3Sb tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Sb3+ atoms to form distorted OYSb3 tetrahedra that share corners with six equivalent OY3Sb tetrahedra, corners with six equivalent OYSb3 trigonal pyramids, and edges with three equivalent OY3Sb tetrahedra. In the third O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mvc-3460

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; YSbO3; O-Sb-Y

OSTI Identifier:: 1320578

DOI:: https://doi.org/10.17188/1320578

Citation Formats


                    The Materials Project. Materials Data on YSbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320578.

Copy to clipboard


                    The Materials Project. Materials Data on YSbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320578

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on YSbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320578.  https://www.osti.gov/servlets/purl/1320578. Pub date:Thu Apr 30 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1320578,

  title        = {Materials Data on YSbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YSbO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are six shorter (2.38 Å) and one longer (2.62 Å) Y–O bond lengths. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.52 Å. Sb3+ is bonded to five O2- atoms to form corner-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 2.20–2.23 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three equivalent Sb3+ atoms to form distorted OYSb3 trigonal pyramids that share corners with nine OYSb3 tetrahedra, corners with three equivalent OYSb3 trigonal pyramids, and edges with three equivalent OY3Sb tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Sb3+ atoms to form distorted OYSb3 tetrahedra that share corners with six equivalent OY3Sb tetrahedra, corners with six equivalent OYSb3 trigonal pyramids, and edges with three equivalent OY3Sb tetrahedra. In the third O2- site, O2- is bonded to three Y3+ and one Sb3+ atom to form OY3Sb tetrahedra that share corners with ten OY3Sb tetrahedra, corners with four equivalent OYSb3 trigonal pyramids, and edges with four OYSb3 tetrahedra. In the fourth O2- site, O2- is bonded to three Y3+ and one Sb3+ atom to form OY3Sb tetrahedra that share corners with twelve OYSb3 tetrahedra, edges with three equivalent OY3Sb tetrahedra, and edges with two equivalent OYSb3 trigonal pyramids.},

  doi          = {10.17188/1320578},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1320578

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on YSbO3 by Materials Project

Dataset The Materials Project

YSbO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.38 Å. Sb3+ is bonded to five O2- atoms to form corner-sharing SbO5 trigonal bipyramids. There are three shorter (2.18 Å) and two longer (2.26 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sb3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Sb3+ atom to formmore »« less
Materials Data on YSbO3 by Materials Project

Dataset The Materials Project

YSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Y–O bond lengths are 3.01 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.13 Å. O2- ismore »« less
Materials Data on YSbO3 by Materials Project

Dataset The Materials Project

YSbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.74 Å. Sb3+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Sb–O bond distances ranging from 2.26–2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Sb3+ atoms. Inmore »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records