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

Title: Materials Data on LaBiSe2O by Materials Project

Abstract

LaOBiSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.34 Å. All La–O bond lengths are 2.40 Å. Bi3+ is bonded to six Se2- atoms to form a mixture of distorted edge and corner-sharing BiSe6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Bi–Se bond distances ranging from 2.66–3.55 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Bi3+ atom. In the second Se2- site, Se2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SeBi5 square pyramids. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Publication Date:
Other Number(s):
mp-1078431
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; LaBiSe2O; Bi-La-O-Se
OSTI Identifier:
1664261
DOI:
https://doi.org/10.17188/1664261

Citation Formats

The Materials Project. Materials Data on LaBiSe2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664261.
The Materials Project. Materials Data on LaBiSe2O by Materials Project. United States. doi:https://doi.org/10.17188/1664261
The Materials Project. 2020. "Materials Data on LaBiSe2O by Materials Project". United States. doi:https://doi.org/10.17188/1664261. https://www.osti.gov/servlets/purl/1664261. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1664261,
title = {Materials Data on LaBiSe2O by Materials Project},
author = {The Materials Project},
abstractNote = {LaOBiSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.34 Å. All La–O bond lengths are 2.40 Å. Bi3+ is bonded to six Se2- atoms to form a mixture of distorted edge and corner-sharing BiSe6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Bi–Se bond distances ranging from 2.66–3.55 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Bi3+ atom. In the second Se2- site, Se2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SeBi5 square pyramids. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1664261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}