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Title: Materials Data on YSnO3 by Materials Project

Abstract

YSnO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.66 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.66 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sn–O bond distances ranging from 2.37–2.62 Å. In the second Sn3+ site, Sn3+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sn–O bond distances ranging from 2.06–2.16 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the second O2- site, O2- ismore » bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the third O2- site, O2- is bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Sn3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Sn3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-15767
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; YSnO3; O-Sn-Y
OSTI Identifier:
1319531
DOI:
https://doi.org/10.17188/1319531

Citation Formats

The Materials Project. Materials Data on YSnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319531.
The Materials Project. Materials Data on YSnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1319531
The Materials Project. 2020. "Materials Data on YSnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1319531. https://www.osti.gov/servlets/purl/1319531. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1319531,
title = {Materials Data on YSnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YSnO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.66 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.66 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sn–O bond distances ranging from 2.37–2.62 Å. In the second Sn3+ site, Sn3+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sn–O bond distances ranging from 2.06–2.16 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the third O2- site, O2- is bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two Sn3+ atoms to form a mixture of distorted edge and corner-sharing OY2Sn2 trigonal pyramids. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Sn3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Sn3+ atoms.},
doi = {10.17188/1319531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}