U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaCu(MoO4)2 by Materials Project
Abstract
LaCu(MoO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.93 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.88 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–1.81 Å. Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–2.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+, one Mo6+, and one Cu1+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one La3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Mo6+, and one Cu1+ atom. In the fourth O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1212602
- 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; Cu-La-Mo-O; LaCu(MoO4)2; crystal structure
- OSTI Identifier:
- 1739089
- DOI:
- https://doi.org/10.17188/1739089
Citation Formats
Materials Data on LaCu(MoO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739089.
Materials Data on LaCu(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1739089
2020.
"Materials Data on LaCu(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1739089. https://www.osti.gov/servlets/purl/1739089. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1739089,
title = {Materials Data on LaCu(MoO4)2 by Materials Project},
abstractNote = {LaCu(MoO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.93 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.88 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–1.81 Å. Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–2.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+, one Mo6+, and one Cu1+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one La3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Mo6+, and one Cu1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+, one Mo6+, and one Cu1+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Mo6+, and one Cu1+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one La3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one La3+, one Mo6+, and one Cu1+ atom.},
doi = {10.17188/1739089},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}