U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2MgMoO6 by Materials Project
Abstract
Ba2MgMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent MoO6 octahedra. All Ba–O bond lengths are 2.90 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.15 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Mg2+, and one Mo6+ atom.
- Publication Date:
- Other Number(s):
- mp-1205825
- 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; Ba-Mg-Mo-O; Ba2MgMoO6; crystal structure
- OSTI Identifier:
- 1699656
- DOI:
- https://doi.org/10.17188/1699656
Citation Formats
Materials Data on Ba2MgMoO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699656.
Materials Data on Ba2MgMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1699656
2020.
"Materials Data on Ba2MgMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1699656. https://www.osti.gov/servlets/purl/1699656. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1699656,
title = {Materials Data on Ba2MgMoO6 by Materials Project},
abstractNote = {Ba2MgMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent MoO6 octahedra. All Ba–O bond lengths are 2.90 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.15 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Mg2+, and one Mo6+ atom.},
doi = {10.17188/1699656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}