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Title: Materials Data on SmAl3(PbO4)2 by Materials Project

Abstract

SmAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Sm3+ is bonded to eight O2- atoms to form SmO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.32 Å) and six longer (2.59 Å) Sm–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent SmO8 hexagonal bipyramids. All Al–O bond lengths are 1.76 Å. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.36 Å) and three longer (3.18 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+, two equivalent Al3+, and one Pb2+ atom. In the second O2- site, O2- is bonded to one Sm3+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OSmPb3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-21567
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; SmAl3(PbO4)2; Al-O-Pb-Sm
OSTI Identifier:
1197000
DOI:
https://doi.org/10.17188/1197000

Citation Formats

The Materials Project. Materials Data on SmAl3(PbO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197000.
The Materials Project. Materials Data on SmAl3(PbO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197000
The Materials Project. 2020. "Materials Data on SmAl3(PbO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197000. https://www.osti.gov/servlets/purl/1197000. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1197000,
title = {Materials Data on SmAl3(PbO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Sm3+ is bonded to eight O2- atoms to form SmO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.32 Å) and six longer (2.59 Å) Sm–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent SmO8 hexagonal bipyramids. All Al–O bond lengths are 1.76 Å. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.36 Å) and three longer (3.18 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+, two equivalent Al3+, and one Pb2+ atom. In the second O2- site, O2- is bonded to one Sm3+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OSmPb3 tetrahedra.},
doi = {10.17188/1197000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}