U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3Fe2(SiO4)3 by Materials Project
Abstract
Ca3Fe2Si3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.53 Å) Ca–O bond lengths. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Fe–O bond lengths are 2.05 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Fe3+, and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-19535
- 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-Fe-O-Si; Ca3Fe2(SiO4)3; crystal structure
- OSTI Identifier:
- 1194741
- DOI:
- https://doi.org/10.17188/1194741
Citation Formats
Materials Data on Ca3Fe2(SiO4)3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1194741.
Materials Data on Ca3Fe2(SiO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1194741
2017.
"Materials Data on Ca3Fe2(SiO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1194741. https://www.osti.gov/servlets/purl/1194741. Pub date:Wed Jun 07 00:00:00 EDT 2017
@article{osti_1194741,
title = {Materials Data on Ca3Fe2(SiO4)3 by Materials Project},
abstractNote = {Ca3Fe2Si3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.53 Å) Ca–O bond lengths. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Fe–O bond lengths are 2.05 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Fe3+, and one Si4+ atom.},
doi = {10.17188/1194741},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jun 07 00:00:00 EDT 2017},
month = {Wed Jun 07 00:00:00 EDT 2017}
}
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