On the use of Guinier-Hägg film data for structure analysis
Abstract
From the information contained in one powder photograph obtained in a Guinier-Hägg camera the crystal structure of (NH4)4[(MoO2)4O3] (C4H3O5)2 · H2O, only known in microcrystalline form, has been determined and refined to a moderate degree of accuracy. The work has comprised step-scanning measurement of the intensity profile, indexing with a trial-and-error program, determination of the Mo positions from an incomplete Patterson function derived from resolved integrated intensities, and finally localization of light non-hydrogen atoms and structure refinement by a series of Fourier calculations and profile analyses.
The material crystallizes in the monoclinic system, space group C 2, with two formula units in a cell of dimensions a = 14.572(2) Å, b = 10.114(2) Å, c = 11.461(2) Å and β = 121.45(1)°. Since as many as 51 parameters are involved the atomic coordinates obtained are approximate, but the main features of the structure are established. The structure contains discrete [(MoO2)4O3 (C4H3O5)2]4− ions having a twofold axis through an oxygen atom.
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Articles in the same Issue
- The crystal structure of germanium dibromide*
- Quadratischer elektrostriktiver Tensor des rhombischen Calciumformiats
- Die Kristallstruktur von Fe2Si, ihre Verwandtschaft zu den Ordnungsstrukturen des α-(Fe,Si)-Mischkristalls und zur Fe5Si3-Struktur
- The behaviour of triplet relationships in the case of a small number of atoms in the unit cell
- The adjunction of antiidentity operations to point groups, including a derivation of the magnetic point groups
- Clinoptilolite: the distribution of potassium atoms and its role in thermal stability
- Die Kristallstruktur von (+)- und (−)-Ru[C6H5(CH3)PCH2CH2,P(C6H5)CH3],Cl2
- Zur Kompensation der elektrostatischen Kräfte bei der Messung elektrooptischer Effekte
- Tables of the Σ1 relationships: triclinic, monoclinic and orthorhombic space groups
- The crystal structure of C.I. Pigment Red 6, 4-chloro-2-nitrophenylazo-2-naphthol
- Madelung constants for millerite-type structures and for high-pressure GeP-type structures: a contribution to the crystal chemistry of A[5]B[5] compounds
- The crystal structures of α and γ SrUO4
- On the use of Guinier-Hägg film data for structure analysis
