U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2(MoO4)3 by Materials Project
Abstract
Y2Mo3O12 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with seven MoO4 tetrahedra and an edgeedge with one YO7 hexagonal pyramid. There are a spread of Y–O bond distances ranging from 2.26–2.43 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four equivalent O2- atoms to form MoO4 tetrahedra that share corners with four equivalent YO7 hexagonal pyramids. All Mo–O bond lengths are 1.79 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five equivalent YO7 hexagonal pyramids. There is three shorter (1.78 Å) and one longer (1.84 Å) Mo–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Y3+ and one Mo6+ atom. In the fourth O2-more »
- Publication Date:
- Other Number(s):
- mp-1198660
- 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; Mo-O-Y; Y2(MoO4)3; crystal structure
- OSTI Identifier:
- 1700490
- DOI:
- https://doi.org/10.17188/1700490
Citation Formats
Materials Data on Y2(MoO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700490.
Materials Data on Y2(MoO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1700490
2020.
"Materials Data on Y2(MoO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1700490. https://www.osti.gov/servlets/purl/1700490. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1700490,
title = {Materials Data on Y2(MoO4)3 by Materials Project},
abstractNote = {Y2Mo3O12 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with seven MoO4 tetrahedra and an edgeedge with one YO7 hexagonal pyramid. There are a spread of Y–O bond distances ranging from 2.26–2.43 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four equivalent O2- atoms to form MoO4 tetrahedra that share corners with four equivalent YO7 hexagonal pyramids. All Mo–O bond lengths are 1.79 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five equivalent YO7 hexagonal pyramids. There is three shorter (1.78 Å) and one longer (1.84 Å) Mo–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Y3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom.},
doi = {10.17188/1700490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}