U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc2PbSe4 by Materials Project
Abstract
Sc2PbSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Sc–Se bond distances ranging from 2.69–2.78 Å. In the second Sc3+ site, Sc3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Sc–Se bond distances ranging from 2.70–2.81 Å. Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 3.14–3.43 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Sc3+ and two equivalent Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Sc3+ and two equivalent Pb2+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Sc3+ and two equivalent Pb2+ atoms. In the fourth Se2- site, Se2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-542826
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Pb-Sc-Se; Sc2PbSe4; crystal structure
- OSTI Identifier:
- 1266745
- DOI:
- https://doi.org/10.17188/1266745
Citation Formats
Materials Data on Sc2PbSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266745.
Materials Data on Sc2PbSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1266745
2020.
"Materials Data on Sc2PbSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1266745. https://www.osti.gov/servlets/purl/1266745. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1266745,
title = {Materials Data on Sc2PbSe4 by Materials Project},
abstractNote = {Sc2PbSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Sc–Se bond distances ranging from 2.69–2.78 Å. In the second Sc3+ site, Sc3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Sc–Se bond distances ranging from 2.70–2.81 Å. Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 3.14–3.43 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Sc3+ and two equivalent Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Sc3+ and two equivalent Pb2+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Sc3+ and two equivalent Pb2+ atoms. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Sc3+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1266745},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}