Redetermination of Fe2[BP3O12]
نویسندگان
چکیده
Explorations of phases in the quaternary Fe(III)-B(III)-P(V)-O system prepared by the high temperature solution growth (HTSG) method led to single-crystal growth of anhydrous diiron(III) borotriphosphate, Fe(2)[BP(3)O(12)]. This phase has been synthesized previously as a microcrystalline material and its structure refined in space group P3 from powder X-ray diffraction data using the Rietveld method [Chen et al. (2004 ▶). J. Inorg. Mater.19, 429-432]. In the current single-crystal study, it was shown that the correct space group is P6(3)/m. The three-dimensional structure of the title compound is built up from FeO(6) octa-hedra (3.. symmetry), trigonal-planar BO(3) groups ( symmetry) and PO(4) tetra-hedra (m.. symmetry). Two FeO(6) octa-hedra form Fe(2)O(9) dimers via face-sharing, while the anionic BO(3) and PO(4) groups are connected via corner-sharing to build up the [BP(3)O(12)](6-) anion. Both units are inter-connected via corner-sharing.
منابع مشابه
Redetermination of Crystal Structure of N,N'-bis (2-Hydroxybenzylidene)-2,2-Dimethyl-1,3-Propanediamine
The structure of N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine, C19H22N2O2, has been studied at low temperature (120K) by means of single-crystal X-ray diffraction. Solving the structure shows an orthorhombic unit cell, with P212121 space group, Z = 4, a = 6.1046 (4) Å, b = 15.8349 (11)</e...
متن کاملRedetermination of 3-methylisoquinoline at 150 K
The structure of the title compound, C(19)H(9)O, has been redetermined at 150 K. The redetermination is of significantly higher precision than a previous room-temperature structure [Ribar et al. (1974 ▶). Cryst. Struct. Commun.3, 323-325]. The C-N bond lengths for this redetermination are much closer to those observed in comparable structures, and the orientation of the methyl group with respec...
متن کاملTheoretical thermodynamic study on the interaction between Fe2+ ion and Pyrazole
The interaction of Fe2+ ion with Pyrazole was theoretically studied by Gussian 03, software at HF/(LanL2DZ+6-31G) and HF/ (LanL2DZ+6-31G (d)) levels in gas phase and solution. In this study acompartion between optimized structures of Pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (H°), Gibbs free energy (G°) and entropy (S°) in presence of metallic ion(Fe2+), was perfor...
متن کاملSynthetic and structural studies on [Fe2(SR)2(CN)x(CO)6-x](x-) as active site models for Fe-only hydrogenases.
A series of models for the active site (H-cluster) of the iron-only hydrogenase enzymes (Fe-only H2-ases) were prepared. Treatment of MeCN solutions of Fe2(SR)2(CO)6 with 2 equiv of Et4NCN gave [Fe2(SR)2(CN)2(CO)4](2-) compounds. IR spectra of the dicyanides feature four nu(CO) bands between 1965 and 1870 cm(-1) and two nu(CN) bands at 2077 and 2033 cm(-1). For alkyl derivatives, both diequator...
متن کاملRemoval of Fe2+ from Aqueous Solution Using Manganese Oxide Coated Zeolite and Iron Oxide Coated Zeolite
The adsorption of Fe2+ by the manganese oxide coated zeolite (MOCZ) and iron oxide coated zeolite (FOCZ) was studied. Surface properties of adsorbents have been investigated for monitoring their changes and morphology for both of the MOCZ and FOCZ. Main variables namely; contact time, pH, initial concentration of Fe2+, size and dosage of adsorbent have been optimized, and the results contrasted...
متن کامل