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Redetermination of (NH(4))(2)HAsO(4).

ABSTRACT: In comparison with the original determination based on Weissenberg film data [Khan et al. (1970 ▶). Acta Cryst. B26, 1889-1892], the current redetermination of diammonium hydrogenarsenate(V) reveals all atoms with anisotropic displacement parameters and all H atoms localized. This allowed an unambiguous assignment of the hydrogen-bonding pattern, which is similar to that of the isotypic phosphate analogue (NH(4))(2)HPO(4). The structure of the title compound consists of slightly distorted AsO(3)(OH) and NH(4) tetra-hedra, linked into a three-dimensional structure by an extensive network of O-H⋯O and N-H⋯O hydrogen bonds.

SUBMITTER: Weil M

PROVIDER: S-EPMC3515085 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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Redetermination of (NH(4))(2)HAsO(4).

Weil Matthias M

Acta crystallographica. Section E, Structure reports online 20121027 Pt 11

In comparison with the original determination based on Weissenberg film data [Khan et al. (1970 ▶). Acta Cryst. B26, 1889-1892], the current redetermination of diammonium hydrogenarsenate(V) reveals all atoms with anisotropic displacement parameters and all H atoms localized. This allowed an unambiguous assignment of the hydrogen-bonding pattern, which is similar to that of the isotypic phosphate analogue (NH(4))(2)HPO(4). The structure of the title compound consists of slightly distorted AsO(3) ...[more]

PMID: 23284312

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(NH4)Ga(HAsO4)2 and TlAl(HAsO4)2 - two new RbFe(HPO4)2-type M + M 3+ arsenates.

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CsGa(HAsO4)2, the first Ga representative of the RbAl(HAsO4)2 structure type.

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RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types.

Project description:Rubidium iron bis-[hydrogen arsenate(V)], RbFe(HAsO4)2, and thallium iron bis-[hydrogen arsenate(V)], TlFe(HAsO4)2, were grown under mild hydro-thermal conditions (T = 493 K, 7 d). RbFe(HAsO4)2 adopts the RbFe(HPO4)2 structure type (space group Rc), while TlFe(HAsO4)2 crystallizes in the (NH4)Fe(HPO4)2 structure type (space group P ). Both compounds have tetra-hedral-octa-hedral framework topologies. The M+ cations are located in channels of the respective framework and are disordered in TlFe(HAsO4)2, which may suggest that the M+ cations can move in the channels.

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Two new Rb-Ga arsenates: RbGa(HAsO4)2 and RbGa2As(HAsO4)6.

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Redetermination of loperamide monohydrate.

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Redetermination of MgCrO4·5H2O.

Project description:The CCD-data based redetermination of the crystal structure of the title compound, magnesium chromate(VI) penta-hydrate, confirms in principle the previous study based on precession film data [Bertrand et al. (1971 ▶). C. R. Hebd. Seances Acad. Sci. Serie C, 272, 530-533.], but with all atoms refined with anisotropic displacement parameters and with all H atoms localized. This allowed an unambiguous assignment of the hydrogen-bonding pattern. MgCrO4·5H2O adopts the MgSO4·5H2O structure type. It contains two Mg(2+) sites on special positions with site symmetry -1, one tetra-hedral CrO4 group and five water mol-ecules. Four of them coordinate to the Mg(2+) cation, and one is an uncoordinating lattice water mol-ecule. The octa-hedral environment of the Mg(2+) cation is completed by two axial O atoms of CrO4 tetra-hedra. This arrangement leads to the formation of chains parallel to [011]. Adjacent chains are linked through O-H⋯O hydrogen bonds (one of them bifurcated), involving both the coordi-nating and lattice water mol-ecules, into a three-dimensional network.

| S-EPMC3793667 | biostudies-literature

Redetermination of EuScO(3).

Project description:Single crystals of europium(III) scandate(III), with ideal formula EuScO(3), were grown from the melt using the micro-pulling-down method. The title compound crystallizes in an ortho-rhom-bic distorted perovskite-type structure, where Eu occupies the eightfold coordinated A sites (site symmetry m) and Sc resides on the centres of corner-sharing [ScO(6)] octa-hedra (B sites with site symmetry ). The structure of EuScO(3) has been reported previously based on powder diffraction data [Liferovich & Mitchell (2004). J. Solid State Chem.177, 2188-2197]. The results of the current redetermination based on single-crystal diffraction data shows an improvement in the precision of the structral and geometric parameters and reveals a defect-type structure. Site-occupancy refinements indicate an Eu deficiency on the A site coupled with O defects on one of the two O-atom positions. The crystallochemical formula of the investigated sample may thus be written as (A)(□(0.032)Eu(0.968))(B)ScO(2.952).

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Redetermination of diammonium thio-molybdate.

Project description:In contrast to the previous structure determinations of the title structure, (NH(4))(2)[MoS(4)], the present determination at 173 K localized the positions of the H atoms. The title structure belongs to the β-K(2)SO(4) family and all the ions are located on crystallographic mirror planes. The ions are held together by N-H⋯S hydrogen bonds (some of which are bifurcated), forming a three-dimensional network. One of the N atoms has nine contacts to the S atoms shorter than 4 Å, and the other has ten.

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