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NEUTRON POWDER DIFFRACTION STUDY OF THE CRYSTAL-STRUCTURE OF THE LAYERED MINERAL KRAUTITE, DMNASO4.D2O

BRAMWELL, ST; BUCKLEY, AM; ROSSEINSKY, MJ; DAY, P; (1994) NEUTRON POWDER DIFFRACTION STUDY OF THE CRYSTAL-STRUCTURE OF THE LAYERED MINERAL KRAUTITE, DMNASO4.D2O. NEW J CHEM , 18 (12) 1209 - 1214.

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Abstract

The crystal structure of a deuterium-substituted analogue of the layered mineral krautite, DMnAsO4.D2O, has been determined at room temperature by high resolution neutron powder diffraction with special reference to the D-atom positions. The compound crystallises in a monoclinic space group P2(1) with a = 8.00860(4), b = 15.94783(9), c = 6.82015(4) Angstrom, beta = 96.608(2)degrees; 2=2, R(p) = 4.9%, R(wp) = 1.6%. The AsO4 and MnO6 coordination polyhedra are connected by sharing edges and vertices to form (010) layers linked by hydrogen-bonds. None of the hydrogen-bonds is of bifurcated type.

Type: Article
Title: NEUTRON POWDER DIFFRACTION STUDY OF THE CRYSTAL-STRUCTURE OF THE LAYERED MINERAL KRAUTITE, DMNASO4.D2O
Keywords: HMNASO4.H2O
UCL classification: UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Physics and Astronomy
URI: http://discovery.ucl.ac.uk/id/eprint/133494
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