J. Grins et A. Tyutyunnik, STRUCTURE AND MAGNETIC-SUSCEPTIBILITY OF MN11TA4O21 AND REFINEMENT OFTHE MN4TA2O9 STRUCTURE, Journal of solid state chemistry (Print), 137(2), 1998, pp. 276-282
The structure of Mn11Ta4O21 has been determined and refined using the
Rietveld method with combined CuK alpha(1) X-ray and time-of-flight ne
utron powder data in space group P (3) over bar c1 to R-F2 = 1.3% (neu
tron data) and R-F2 = 7.8% (X-ray data). The unit cell is a = 5.3776(2
) Angstrom, c = 34.040(2)Angstrom, V = 852.5 Angstrom(3), and Z = 2, T
he structure consists of a 14-layer hexagonal sequence of close packed
oxygen atoms and an ordered distribution of metal atoms in octahedral
coordination. It can be described as built up of corundum-type Mn4Ta2
O9 blocks, with six layers of octahedra, alternating with single MnO l
ayers of octahedra, The structure is compared with that of corundum-re
lated Mn4Ta2O9, with unit cell a = 5.3306(2) Angstrom, c = 14.336(1) A
ngstrom, V = 352.8 Angstrom(3), and Z = 2, which has been refined in s
pace group P (3) over bar c1 to R-F2 = 1.9%, using constant-wavelength
(lambda = 1.47 Angstrom) neutron powder diffraction data, The magneti
c susceptibility of Mn11Ta4O21 exhibits a maximum at 23 K and a Curie-
Weiss behavior at higher temperatures with Theta(a) = -240 K and mu(ef
f) = 5.7 mu(B) per Mn atom. (C) 1998 Academic Press.