U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2CaMoO6 by Materials Project
Abstract
Sr2CaMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent CaO6 octahedra, and faces with four equivalent MoO6 octahedra. All Sr–O bond lengths are 2.96 Å. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.24 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ca2+, and one Mo6+ atom.
- Publication Date:
- Other Number(s):
- mp-18962
- 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; Ca-Mo-O-Sr; Sr2CaMoO6; crystal structure
- OSTI Identifier:
- 1193737
- DOI:
- https://doi.org/10.17188/1193737
Citation Formats
Materials Data on Sr2CaMoO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193737.
Materials Data on Sr2CaMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1193737
2020.
"Materials Data on Sr2CaMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1193737. https://www.osti.gov/servlets/purl/1193737. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1193737,
title = {Materials Data on Sr2CaMoO6 by Materials Project},
abstractNote = {Sr2CaMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent CaO6 octahedra, and faces with four equivalent MoO6 octahedra. All Sr–O bond lengths are 2.96 Å. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.24 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ca2+, and one Mo6+ atom.},
doi = {10.17188/1193737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}