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Title: Materials Data on YbSn2BiO7 by Materials Project

Abstract

YbSn2BiO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.57 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. All Sn–O bond lengths are 2.08 Å. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form OYb2Bi2 tetrahedra that share corners with fourteen OYb2Bi2 tetrahedra and edges with five OYb2Sn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sn4+ and two equivalent Bi3+ atoms. Inmore » the third O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing OYb2Sn2 tetrahedra. In the fourth O2- site, O2- is bonded to one Yb3+, two Sn4+, and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OYbSn2Bi tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1215646
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; YbSn2BiO7; Bi-O-Sn-Yb
OSTI Identifier:
1688908
DOI:
https://doi.org/10.17188/1688908

Citation Formats

The Materials Project. Materials Data on YbSn2BiO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688908.
The Materials Project. Materials Data on YbSn2BiO7 by Materials Project. United States. doi:https://doi.org/10.17188/1688908
The Materials Project. 2020. "Materials Data on YbSn2BiO7 by Materials Project". United States. doi:https://doi.org/10.17188/1688908. https://www.osti.gov/servlets/purl/1688908. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688908,
title = {Materials Data on YbSn2BiO7 by Materials Project},
author = {The Materials Project},
abstractNote = {YbSn2BiO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.57 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. All Sn–O bond lengths are 2.08 Å. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form OYb2Bi2 tetrahedra that share corners with fourteen OYb2Bi2 tetrahedra and edges with five OYb2Sn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sn4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing OYb2Sn2 tetrahedra. In the fourth O2- site, O2- is bonded to one Yb3+, two Sn4+, and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OYbSn2Bi tetrahedra.},
doi = {10.17188/1688908},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}