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Hydrothermal Synthesis, Structural, and Magnetic Studies of a New Fluoropyrophosphate: BaFeII2P2O7F2

✍ Scribed by J.-M. Le Meins; J.-M. Grenèche; G. Courbion

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
410 KB
Volume
148
Category
Article
ISSN
0022-4596

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✦ Synopsis

BaFe 2 (P 2 O 7 )F 2 has been synthesized hydrothermally (24 h, 7003C). Its structure, determined using room-temperature single-crystal X-ray di4raction data, is othorhombic (space group Pmmn, No. 59) with cell parameters a ‫؍‬ 6.878(1) A > , b ‫؍‬ 11.847(2) A > , c ‫؍‬ 4.588(1) A > , V ‫؍‬ 373.9(1) A > 3 , and Z ‫؍‬ 2. The reliability factors converge to R 1 ‫؍‬ 2.0% and R 2 ‫؍‬ 5.8% for 1267 unique re6ections (I' '2 (I )). The structure, which is compared to that of the minerals Lawsonite and Henomartinite, consists of octahedra in5nite chains [FeO 3 F] 5n؊ n and P 2 O 7 pyrophosphate linked to generate a three-dimensional framework. MoK ssbauer data are consistent with the presence of one Fe 2؉ site in the high spin state. Magnetic couplings are discussed in terms of superexchange and super-superexchange interactions. 1999 Academic Press

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