U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaSm2O4 by Materials Project
Abstract
CaSm2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Ca–O bond lengths are 2.34 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent SmO6 octahedra. There are two shorter (2.36 Å) and four longer (2.37 Å) Sm–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OCaSm3 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-754240
- 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-O-Sm; CaSm2O4; crystal structure
- OSTI Identifier:
- 1289316
- DOI:
- https://doi.org/10.17188/1289316
Citation Formats
Materials Data on CaSm2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289316.
Materials Data on CaSm2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1289316
2020.
"Materials Data on CaSm2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1289316. https://www.osti.gov/servlets/purl/1289316. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1289316,
title = {Materials Data on CaSm2O4 by Materials Project},
abstractNote = {CaSm2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Ca–O bond lengths are 2.34 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent SmO6 octahedra. There are two shorter (2.36 Å) and four longer (2.37 Å) Sm–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OCaSm3 trigonal pyramids.},
doi = {10.17188/1289316},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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