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Annealing-Induced Structural Behavior of Mn Dopant Ions in Calcium Orthovanadate Ca3(VO4)2Single Crystals
- Source :
- Inorganic Chemistry; May 2022, Vol. 61 Issue: 18 p7060-7068, 9p
- Publication Year :
- 2022
-
Abstract
- The crystal and local structures of Czochralski-grown calcium orthovanadate (Ca3(VO4)2) single crystals doped with over-stoichiometric 0.05 wt % Mn2O3(CVO:0.05Mn) and annealed under different conditions are studied by single-crystal conventional and synchrotron X-ray diffraction, X-ray absorption spectroscopy, and electron paramagnetic resonance for the first time. Bottom (annealing in air) and top (annealing in air and in vacuum) parts of the CVO:0.05Mn crystal differ in the manganese content (higher in the bottom part), formal charge (Mn4+and Mn(3+δ)+, respectively), and color (orange bottom part; light orange and yellow top parts annealed in air and vacuum, respectively). Manganese ions are located in one (Ca3, distorted two-capped trigonal prism) of five crystallographic Ca sites and have octahedral coordination, which is consistent with crystal-chemical properties of transition-metal ions. The presence of vacancies in one of three V sites is revealed. Formal charge 5+ for vanadium ions is confirmed by X-ray photoelectron spectroscopy. Different colors of CVO:Mn crystals and different formal charges of manganese are explained depending on the growth and post-growth treatment conditions.
Details
- Language :
- English
- ISSN :
- 00201669 and 1520510X
- Volume :
- 61
- Issue :
- 18
- Database :
- Supplemental Index
- Journal :
- Inorganic Chemistry
- Publication Type :
- Periodical
- Accession number :
- ejs59512365
- Full Text :
- https://doi.org/10.1021/acs.inorgchem.2c00503