U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCr2FeO10 by Materials Project
Abstract
NaCr2FeO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are two shorter (2.55 Å) and four longer (2.72 Å) Na–O bond lengths. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.63 Å) and two longer (1.72 Å) Cr–O bond length. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There is two shorter (1.84 Å) and four longer (1.97 Å) Fe–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a 3-coordinate geometry to one Na, one Cr, and one Fe atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one Cr atom.
- Publication Date:
- Other Number(s):
- mp-1210226
- 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; Cr-Fe-Na-O; crystal structure; NaCr2FeO10
- OSTI Identifier:
- 1711561
- DOI:
- https://doi.org/10.17188/1711561
Citation Formats
Materials Data on NaCr2FeO10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711561.
Materials Data on NaCr2FeO10 by Materials Project. United States. doi:https://doi.org/10.17188/1711561
2020.
"Materials Data on NaCr2FeO10 by Materials Project". United States. doi:https://doi.org/10.17188/1711561. https://www.osti.gov/servlets/purl/1711561. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1711561,
title = {Materials Data on NaCr2FeO10 by Materials Project},
abstractNote = {NaCr2FeO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are two shorter (2.55 Å) and four longer (2.72 Å) Na–O bond lengths. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.63 Å) and two longer (1.72 Å) Cr–O bond length. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There is two shorter (1.84 Å) and four longer (1.97 Å) Fe–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a 3-coordinate geometry to one Na, one Cr, and one Fe atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one Cr atom.},
doi = {10.17188/1711561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}