Materials Data on MgCr2O4 by Materials Project
MgCr2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent CrO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent CrO6 octahedra. There are two shorter (2.08 Å) and four longer (2.10 Å) Mg–O bond lengths. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 53–66°. There is two shorter (1.91 Å) and two longer (2.00 Å) Cr–O bond length. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent MgO6 octahedra. All Cr–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two Cr3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Cr3+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1207601
- Report Number(s):
- mp-39010
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on MgCr2O4 by Materials Project
Materials Data on MgCr2O4 by Materials Project