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- Title
Crystal Growth, Structural Elucidation, and Accurate (CHARDI/BVS) Investigations of Zn<sub>3</sub>Fe<sub>4</sub>(PO<sub>4</sub>)<sub>6</sub> with Howardevansite-like Structure.
- Authors
Khmiyas, J.; Assani, A.; Saadi, M.; El Ammari, L.
- Abstract
Zinc and iron-based phosphate Zn3Fe4(PO4)6 was synthesized by solid-state reaction and characterized by single-crystal X-ray diffraction and energy dispersive X-ray spectroscopy. The structure of the title compound belongs to the Howardevansite family and crystallizes in the triclinic system, space group with the following unit cell parameters a = 6.3447(2) Å, b = 7.8838(2) Å, c = 9.3019(2) Å, α = 104.726(1)°, β = 108.408(1)°, γ = 101.245(1)°, and Z = 1. The proposed structural model was supported by both charge distribution and bond valence sum validation methods. The crystal structure is built up from kinked chains of edge-sharing polyhedra following the sequence [Fe(1)2O10]–[Zn(1)O5]–[Fe(2)2O10]. These chains are held together through PO4 tetrahedra forming a stacked layers perpendicular to [010]. The resulting 3D framework defines tunnels running along [100], in which some Zn2+ cations are located.
- Subjects
CRYSTAL growth; ENERGY dispersive X-ray spectroscopy; SPACE groups; CRYSTAL structure; STRUCTURAL models; KEGGIN anions; PHONONIC crystals
- Publication
Crystallography Reports, 2021, Vol 66, Issue 7, p1216
- ISSN
1063-7745
- Publication type
Article
- DOI
10.1134/S1063774521070087