U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr2PbSe4 by Materials Project
Abstract
Pr2PbSe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent Se2- atoms to form distorted PrSe8 hexagonal bipyramids that share corners with four equivalent PrSe8 hexagonal bipyramids, corners with four equivalent PbSe8 hexagonal bipyramids, edges with four equivalent PrSe8 hexagonal bipyramids, faces with four equivalent PrSe8 hexagonal bipyramids, and faces with four equivalent PbSe8 hexagonal bipyramids. There are a spread of Pr–Se bond distances ranging from 3.02–3.26 Å. Pb2+ is bonded to eight equivalent Se2- atoms to form distorted PbSe8 hexagonal bipyramids that share corners with eight equivalent PrSe8 hexagonal bipyramids, edges with four equivalent PbSe8 hexagonal bipyramids, and faces with eight equivalent PrSe8 hexagonal bipyramids. There are four shorter (3.10 Å) and four longer (3.28 Å) Pb–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Pb2+ atoms.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1282604
- Report Number(s):
- mp-675146
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Pr2PbSe4; Pb-Pr-Se
Citation Formats
The Materials Project. Materials Data on Pr2PbSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282604.
The Materials Project. Materials Data on Pr2PbSe4 by Materials Project. United States. https://doi.org/10.17188/1282604
The Materials Project. 2020.
"Materials Data on Pr2PbSe4 by Materials Project". United States. https://doi.org/10.17188/1282604. https://www.osti.gov/servlets/purl/1282604.
@article{osti_1282604,
title = {Materials Data on Pr2PbSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2PbSe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent Se2- atoms to form distorted PrSe8 hexagonal bipyramids that share corners with four equivalent PrSe8 hexagonal bipyramids, corners with four equivalent PbSe8 hexagonal bipyramids, edges with four equivalent PrSe8 hexagonal bipyramids, faces with four equivalent PrSe8 hexagonal bipyramids, and faces with four equivalent PbSe8 hexagonal bipyramids. There are a spread of Pr–Se bond distances ranging from 3.02–3.26 Å. Pb2+ is bonded to eight equivalent Se2- atoms to form distorted PbSe8 hexagonal bipyramids that share corners with eight equivalent PrSe8 hexagonal bipyramids, edges with four equivalent PbSe8 hexagonal bipyramids, and faces with eight equivalent PrSe8 hexagonal bipyramids. There are four shorter (3.10 Å) and four longer (3.28 Å) Pb–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1282604},
url = {https://www.osti.gov/biblio/1282604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}