U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbSmO3 by Materials Project
Abstract
YbSmO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with five SmO6 octahedra, corners with six YbO6 octahedra, edges with two equivalent SmO6 octahedra, and a faceface with one SmO6 octahedra. The corner-sharing octahedra tilt angles range from 49–76°. There are a spread of Yb–O bond distances ranging from 2.28–2.37 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with five SmO6 octahedra, corners with six YbO6 octahedra, edges with two equivalent SmO6 octahedra, and a faceface with one SmO6 octahedra. The corner-sharing octahedra tilt angles range from 49–76°. There are a spread of Yb–O bond distances ranging from 2.29–2.36 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six O2- atoms to form distorted SmO6 octahedra that share corners with five YbO6 octahedra, corners with six SmO6 octahedra, edges with two equivalent YbO6 octahedra, and a faceface with one YbO6 octahedra. The corner-sharing octahedra tilt angles range frommore »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1288704
- Report Number(s):
- mp-752596
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; YbSmO3; O-Sm-Yb
Citation Formats
The Materials Project. Materials Data on YbSmO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288704.
The Materials Project. Materials Data on YbSmO3 by Materials Project. United States. https://doi.org/10.17188/1288704
The Materials Project. 2020.
"Materials Data on YbSmO3 by Materials Project". United States. https://doi.org/10.17188/1288704. https://www.osti.gov/servlets/purl/1288704.
@article{osti_1288704,
title = {Materials Data on YbSmO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbSmO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with five SmO6 octahedra, corners with six YbO6 octahedra, edges with two equivalent SmO6 octahedra, and a faceface with one SmO6 octahedra. The corner-sharing octahedra tilt angles range from 49–76°. There are a spread of Yb–O bond distances ranging from 2.28–2.37 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with five SmO6 octahedra, corners with six YbO6 octahedra, edges with two equivalent SmO6 octahedra, and a faceface with one SmO6 octahedra. The corner-sharing octahedra tilt angles range from 49–76°. There are a spread of Yb–O bond distances ranging from 2.29–2.36 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six O2- atoms to form distorted SmO6 octahedra that share corners with five YbO6 octahedra, corners with six SmO6 octahedra, edges with two equivalent YbO6 octahedra, and a faceface with one YbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–76°. There are a spread of Sm–O bond distances ranging from 2.29–2.45 Å. In the second Sm3+ site, Sm3+ is bonded to six O2- atoms to form distorted SmO6 octahedra that share corners with five YbO6 octahedra, corners with six SmO6 octahedra, edges with two equivalent YbO6 octahedra, and a faceface with one YbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–76°. There are a spread of Sm–O bond distances ranging from 2.29–2.45 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two Yb3+ and two equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Sm2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two Sm3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Sm2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Sm2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Sm2 trigonal pyramids. In the fifth O2- site, O2- is bonded to two equivalent Yb3+ and two Sm3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Sm2 tetrahedra. In the sixth O2- site, O2- is bonded to two Yb3+ and two equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Sm2 tetrahedra.},
doi = {10.17188/1288704},
url = {https://www.osti.gov/biblio/1288704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}