skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Eu(BiSe2)2 by Materials Project

Abstract

Eu(BiSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.19–3.67 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.86–3.07 Å. In the second Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.95–3.00 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Eu2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SeEu2Bi3 square pyramids. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing SeEu2Bi3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to two equivalent Eu2+ andmore » three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing SeEu2Bi3 trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Bi3+ atoms.« less

Publication Date:
Other Number(s):
mp-1193071
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; Eu(BiSe2)2; Bi-Eu-Se
OSTI Identifier:
1652507
DOI:
https://doi.org/10.17188/1652507

Citation Formats

The Materials Project. Materials Data on Eu(BiSe2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652507.
The Materials Project. Materials Data on Eu(BiSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652507
The Materials Project. 2019. "Materials Data on Eu(BiSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652507. https://www.osti.gov/servlets/purl/1652507. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1652507,
title = {Materials Data on Eu(BiSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu(BiSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.19–3.67 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.86–3.07 Å. In the second Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.95–3.00 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Eu2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SeEu2Bi3 square pyramids. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing SeEu2Bi3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to two equivalent Eu2+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing SeEu2Bi3 trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Bi3+ atoms.},
doi = {10.17188/1652507},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}