U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La4Se3O4 by Materials Project
Abstract
La4Se3O4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four Se+1.33- and four O2- atoms. There are two shorter (3.23 Å) and two longer (3.37 Å) La–Se bond lengths. There are three shorter (2.41 Å) and one longer (2.43 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Se+1.33- and four O2- atoms. All La–Se bond lengths are 3.22 Å. There are two shorter (2.40 Å) and two longer (2.43 Å) La–O bond lengths. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to two equivalent Se+1.33- and four O2- atoms. Both La–Se bond lengths are 3.24 Å. There are two shorter (2.36 Å) and two longer (2.40 Å) La–O bond lengths. There are two inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to four La3+ and one Se+1.33- atom. The Se–Se bond length is 2.55 Å. In the second Se+1.33- site, Se+1.33- is bonded in a 6-coordinate geometry to six La3+ atoms. There are three inequivalent O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-4412
- 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; La4Se3O4; La-O-Se
- OSTI Identifier:
- 1208135
- DOI:
- https://doi.org/10.17188/1208135
Citation Formats
The Materials Project. Materials Data on La4Se3O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208135.
The Materials Project. Materials Data on La4Se3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1208135
The Materials Project. 2020.
"Materials Data on La4Se3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1208135. https://www.osti.gov/servlets/purl/1208135. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208135,
title = {Materials Data on La4Se3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {La4Se3O4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four Se+1.33- and four O2- atoms. There are two shorter (3.23 Å) and two longer (3.37 Å) La–Se bond lengths. There are three shorter (2.41 Å) and one longer (2.43 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Se+1.33- and four O2- atoms. All La–Se bond lengths are 3.22 Å. There are two shorter (2.40 Å) and two longer (2.43 Å) La–O bond lengths. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to two equivalent Se+1.33- and four O2- atoms. Both La–Se bond lengths are 3.24 Å. There are two shorter (2.36 Å) and two longer (2.40 Å) La–O bond lengths. There are two inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to four La3+ and one Se+1.33- atom. The Se–Se bond length is 2.55 Å. In the second Se+1.33- site, Se+1.33- is bonded in a 6-coordinate geometry to six La3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1208135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}