Ab-initio determination of La2Mo4O15 crystal structure from X-rays and neutron powder diffraction

The structure of LA(2)Mo(4)O(15) has been determined from both high resolut ion X-ray and neutron powder diffraction data. This molybdate crystallizes in a monoclinic space group P2(1)/n with cell parameters a = 9.0357(2) Angs trom, b = 12.7737(2) Angstrom, 10.6408(2) Angstrom, beta = 90.2491(6)degree s The structure consists of molybdenum octahedra [MoO6] and tetrahedra [MoO ], and lanthanum polyhedra [LaO9], Molybdenum polyhedra are connected: toge ther, forming large units [Mo6O22], isolated by lanthanum polyhedral chains , This structure is compared with those of already known lanthanide molybda tes with formula Ln(2)Mo(4)O(15) (Ln = Ce, Ho). (C) 2001 Academic Press.