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Title: Materials Data on YbPrSe3 by Materials Project

Abstract

PrYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.93–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form corner-sharing SeYb2Pr2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Pr3+ atoms.

Publication Date:
Other Number(s):
mp-11786
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YbPrSe3; Pr-Se-Yb
OSTI Identifier:
1188363
DOI:
https://doi.org/10.17188/1188363

Citation Formats

The Materials Project. Materials Data on YbPrSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188363.
The Materials Project. Materials Data on YbPrSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1188363
The Materials Project. 2020. "Materials Data on YbPrSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1188363. https://www.osti.gov/servlets/purl/1188363. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188363,
title = {Materials Data on YbPrSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.93–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form corner-sharing SeYb2Pr2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Pr3+ atoms.},
doi = {10.17188/1188363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}