2015/01/23 by Matthias Weil, Enrique J. Baran, Reinhard K. Kremer +1
Chemistry · Environmental Science · Materials Science · #Chemical Synthesis and Characterization #Crystal Structures and Properties #Inorganic Fluorides and Related Compounds
paper · doi:10.1002/zaac.201400587
openalex publication_date 2015/01/23 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/25
Abstract Single crystals of manganese(II) fluorophosphate dihydrate, Mn(PO 3 F)(H 2 O) 2 , were grown in a metathesis reaction from aqueous solutions of MnCl 2 and (NH 4 ) 2 (PO 3 F). The crystal structure [ P 1 , Z = 2, a = 5.5280(7), b = 5.6357(7), c = 8.2570(10) Å, α = 81.279(2), β = 75.156(2), γ = 71.722(2)°, 1345 structure factors, 86 parameter, R [ F 2 > 2 σ ( F 2 )] = 0.0322, w R ( F 2 all) = 0.0771] consists of [MnO 4 (H 2 O) 2 ] octahedra that share a common edge to form isolated double octahedra of the type [Mn 2 O 2/2 O 4/1 (H 2 O) 4/1 ]. Each double octahedron is bridged by the oxygen atoms of six (PO 3 F) tetrahedra to six neighboring double octahedra into a layered arrangement parallel to (001). Adjacent layers are held together through weak O–H ··· O hydrogen bonds, and no significant hydrogen bonding interactions of the type O–H ··· F are observed. Vibrational spectra are discussed in terms of a site‐symmetry approximation for the (PO 3 F) 2– anion. The thermal decomposition of Mn(PO 3 F)(H 2 O) 2 starts above 130 °C. In a multi‐stage mechanism the end‐product Mn 2 P 2 O 7 is formed at temperatures above 500 °C. Magnetic measurements suggest an antiferromagnetic ordering of Mn(PO 3 F)(H 2 O) 2 at 3.4 K.