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Title: Materials Data on LaBi5O9 by Materials Project

Abstract

LaBi5O9 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.79 Å. There are five inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.96 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.18–2.51 Å. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.97 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.58 Å. In the fifth Bi3+ site, 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 2.29–2.85 Å. There are nine inequivalent O2- sites. In the first O2- site, O2-more » is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with six OLaBi3 tetrahedra and edges with three OLa2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two Bi3+ atoms to form distorted OLa2Bi2 tetrahedra that share corners with eleven OLaBi3 tetrahedra, edges with five OLaBi3 tetrahedra, and an edgeedge with one OBi4 trigonal pyramid. In the third O2- site, O2- is bonded to four Bi3+ atoms to form distorted OBi4 trigonal pyramids that share corners with seven OLaBi3 tetrahedra, corners with two equivalent OBi4 trigonal pyramids, and edges with three OLaBi3 tetrahedra. In the fourth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with ten OLaBi3 tetrahedra, corners with two equivalent OBi4 trigonal pyramids, and edges with four OLaBi3 tetrahedra. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the sixth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with six OLaBi3 tetrahedra, corners with four equivalent OBi4 trigonal pyramids, and edges with three OLaBi3 tetrahedra. In the seventh O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form OLaBi3 tetrahedra that share corners with ten OLaBi3 tetrahedra, edges with four OLaBi3 tetrahedra, and edges with two equivalent OBi4 trigonal pyramids. In the eighth O2- site, O2- is bonded to two equivalent La3+ and two Bi3+ atoms to form OLa2Bi2 tetrahedra that share corners with eleven OLa2Bi2 tetrahedra, a cornercorner with one OBi4 trigonal pyramid, and edges with five OLaBi3 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to four Bi3+ atoms.« less

Publication Date:
Other Number(s):
mp-753069
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; LaBi5O9; Bi-La-O
OSTI Identifier:
1288895
DOI:
https://doi.org/10.17188/1288895

Citation Formats

The Materials Project. Materials Data on LaBi5O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288895.
The Materials Project. Materials Data on LaBi5O9 by Materials Project. United States. doi:https://doi.org/10.17188/1288895
The Materials Project. 2020. "Materials Data on LaBi5O9 by Materials Project". United States. doi:https://doi.org/10.17188/1288895. https://www.osti.gov/servlets/purl/1288895. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1288895,
title = {Materials Data on LaBi5O9 by Materials Project},
author = {The Materials Project},
abstractNote = {LaBi5O9 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.79 Å. There are five inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.96 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.18–2.51 Å. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.97 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.58 Å. In the fifth Bi3+ site, 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 2.29–2.85 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with six OLaBi3 tetrahedra and edges with three OLa2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two Bi3+ atoms to form distorted OLa2Bi2 tetrahedra that share corners with eleven OLaBi3 tetrahedra, edges with five OLaBi3 tetrahedra, and an edgeedge with one OBi4 trigonal pyramid. In the third O2- site, O2- is bonded to four Bi3+ atoms to form distorted OBi4 trigonal pyramids that share corners with seven OLaBi3 tetrahedra, corners with two equivalent OBi4 trigonal pyramids, and edges with three OLaBi3 tetrahedra. In the fourth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with ten OLaBi3 tetrahedra, corners with two equivalent OBi4 trigonal pyramids, and edges with four OLaBi3 tetrahedra. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the sixth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with six OLaBi3 tetrahedra, corners with four equivalent OBi4 trigonal pyramids, and edges with three OLaBi3 tetrahedra. In the seventh O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form OLaBi3 tetrahedra that share corners with ten OLaBi3 tetrahedra, edges with four OLaBi3 tetrahedra, and edges with two equivalent OBi4 trigonal pyramids. In the eighth O2- site, O2- is bonded to two equivalent La3+ and two Bi3+ atoms to form OLa2Bi2 tetrahedra that share corners with eleven OLa2Bi2 tetrahedra, a cornercorner with one OBi4 trigonal pyramid, and edges with five OLaBi3 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to four Bi3+ atoms.},
doi = {10.17188/1288895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}