ZnCr2O4
zinc chromite
ZnCr2O4 is a stable, semiconducting spinel oxide used primarily as a catalyst in industrial chemical processing.
About zinc chromite
ZnCr2O4 is a thermodynamically stable spinel oxide that serves as a robust structural framework for catalytic applications. Its semiconducting electronic character makes it a versatile candidate for redox-active processes where electronic transition management is critical for performance. The compound is widely recognized for its structural integrity, supported by extensive experimental documentation across multiple databases. It plays a pivotal role in chemical synthesis, particularly in reactions requiring stable, high-surface-area oxide catalysts that can withstand demanding thermal environments. By facilitating specific surface interactions, it enables efficient conversion pathways in complex industrial gas-phase reactions.
Key Properties
Cross-validated computational properties for zinc chromite, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for ZnCr2O4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0000 | -8.043 | 5.34 |
| P3m1 (No. 156) | trigonal | 1.31 | 0.0526 | -7.990 | 5.07 |
| P3m1 (No. 156) | trigonal | 1.14 | 0.1015 | -7.941 | 5.02 |
| R3m (No. 160) | trigonal | 1.05 | 0.1500 | -7.893 | 5.00 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1781 | -7.865 | 5.49 |
| Pbcm (No. 57) | orthorhombic | 1.95 | 0.1795 | -7.863 | 5.48 |
| Pnma (No. 62) | orthorhombic | 2.24 | 0.1871 | -7.856 | 5.52 |
| Pmmn (No. 59) | orthorhombic | 2.39 | 0.1898 | -7.853 | 4.98 |
| Cm (No. 8) | monoclinic | 0.00 | 0.2091 | -7.834 | 5.01 |
| Cm (No. 8) | monoclinic | 0.89 | 0.2279 | -7.815 | 5.03 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2316 | -7.811 | 4.95 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.2688 | -7.774 | 4.99 |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnCr2O4.
Applications
Where zinc chromite is used.
Frequently Asked Questions
Common questions about zinc chromite, answered from cross-validated data.
What is ZnCr2O4?
ZnCr2O4 is a stable, semiconducting spinel oxide used primarily as a catalyst in industrial chemical processing.
What is ZnCr2O4 used for?
What is the band gap of ZnCr2O4?
Is ZnCr2O4 a metal, semiconductor, or insulator?
Is ZnCr2O4 thermodynamically stable?
What is the crystal structure of ZnCr2O4?
What is the density of ZnCr2O4?
How many polymorphs of ZnCr2O4 are known?
How is ZnCr2O4 synthesized?
What elements does ZnCr2O4 contain?
Where does the data for ZnCr2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel and related transition metal oxides, ZnCr2O4 occupies a distinct niche compared to simpler binary oxides like ZnO or NiO. While materials such as MgAl2O4 are often prized for their insulating properties and structural inertness, ZnCr2O4 provides a more active semiconducting surface that is better suited for catalytic redox cycles. It bridges the gap between the highly reactive perovskites like LaMnO3 and the more chemically inert spinel supports, offering a balanced combination of stability and catalytic functionality.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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