Materials Data on NdAl3(PbO4)2 by Materials Project
Abstract
NdAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Nd3+ is bonded to eight O2- atoms to form NdO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.35 Å) and six longer (2.61 Å) Nd–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 NdO8 hexagonal bipyramids. All Al–O bond lengths are 1.76 Å. Pb2+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.35 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to one Nd3+ and three equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing ONdPb3 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-21618
- 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; NdAl3(PbO4)2; Al-Nd-O-Pb
- OSTI Identifier:
- 1197063
- DOI:
- https://doi.org/10.17188/1197063
Citation Formats
The Materials Project. Materials Data on NdAl3(PbO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197063.
The Materials Project. Materials Data on NdAl3(PbO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197063
The Materials Project. 2020.
"Materials Data on NdAl3(PbO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197063. https://www.osti.gov/servlets/purl/1197063. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1197063,
title = {Materials Data on NdAl3(PbO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Nd3+ is bonded to eight O2- atoms to form NdO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.35 Å) and six longer (2.61 Å) Nd–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 NdO8 hexagonal bipyramids. All Al–O bond lengths are 1.76 Å. Pb2+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.35 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to one Nd3+ and three equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing ONdPb3 tetrahedra.},
doi = {10.17188/1197063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}