U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La3ReO8 by Materials Project
Abstract
La3ReO8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.67 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.85 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.69 Å. Re7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.85–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Re7+ atom. In the fourth O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-504831
- 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; La-O-Re; La3ReO8; crystal structure
- OSTI Identifier:
- 1262082
- DOI:
- https://doi.org/10.17188/1262082
Citation Formats
Materials Data on La3ReO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262082.
Materials Data on La3ReO8 by Materials Project. United States. doi:https://doi.org/10.17188/1262082
2020.
"Materials Data on La3ReO8 by Materials Project". United States. doi:https://doi.org/10.17188/1262082. https://www.osti.gov/servlets/purl/1262082. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1262082,
title = {Materials Data on La3ReO8 by Materials Project},
abstractNote = {La3ReO8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.67 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.85 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.69 Å. Re7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.85–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one Re7+ atom.},
doi = {10.17188/1262082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}