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Crystal Growth, Structural Elucidation, and Accurate (CHARDI/BVS) Investigations of Zn3Fe4(PO4)6 with Howardevansite-like Structure

Crystal Growth, Structural Elucidation, and Accurate (CHARDI/BVS) Investigations of Zn3Fe4(PO4)6... 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 \documentclass[12pt]{minimal}\usepackage{amsmath}\usepackage{wasysym}\usepackage{amsfonts}\usepackage{amssymb}\usepackage{amsbsy}\usepackage{mathrsfs}\usepackage{upgreek}\setlength{\oddsidemargin}{-69pt}\begin{document}$$P\bar {1}$$\end{document} 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Crystallography Reports Springer Journals

Crystal Growth, Structural Elucidation, and Accurate (CHARDI/BVS) Investigations of Zn3Fe4(PO4)6 with Howardevansite-like Structure

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Publisher
Springer Journals
Copyright
Copyright © Pleiades Publishing, Inc. 2021. ISSN 1063-7745, Crystallography Reports, 2021, Vol. 66, No. 7, pp. 1216–1222. © Pleiades Publishing, Inc., 2021.
ISSN
1063-7745
eISSN
1562-689X
DOI
10.1134/s1063774521070087
Publisher site
See Article on Publisher Site

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 \documentclass[12pt]{minimal}\usepackage{amsmath}\usepackage{wasysym}\usepackage{amsfonts}\usepackage{amssymb}\usepackage{amsbsy}\usepackage{mathrsfs}\usepackage{upgreek}\setlength{\oddsidemargin}{-69pt}\begin{document}$$P\bar {1}$$\end{document} 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.

Journal

Crystallography ReportsSpringer Journals

Published: Dec 1, 2021

References