RESUMO
The program Mercury, developed at the Cambridge Crystallographic Data Centre, was originally designed primarily as a crystal structure visualization tool. Over the years the fields and scientific communities of chemical crystallography and crystal engineering have developed to require more advanced structural analysis software. Mercury has evolved alongside these scientific communities and is now a powerful analysis, design and prediction platform which goes a lot further than simple structure visualization.
RESUMO
A low-temperature time-of-flight neutron powder diffraction study of a simple new solid, MnAsO(4), in a sample also containing 20% Mn(2)As(2)O(7) has been performed. MnAsO(4) orders magnetically at 14.5(5) K, and the unusual antiferromagnetic structure below this temperature has been determined. Only half of the Mn(3+) spins are ordered, and the remaining "idle" spins show some spin-glass behavior evidenced by susceptibility measurements. The ordered moment is reduced to a value of 2.6 &mgr;(B) by frustration. It is not possible to determine which of the two crystallographically inequivalent Mn sublattices is magnetically ordered and which is idle. The antiferromagnetic structure of the minority phase Mn(2)As(2)O(7) which orders at 10.5(5) K has also been determined.