TY - JOUR
T1 - The superstructure of KCuCe2Se6 due to ordering of copper cations
AU - Klawitter, Y.
AU - Näther, C.
AU - Jeß, I.
AU - Bensch, W.
AU - Kanatzidis, M. G.
PY - 1999/1/1
Y1 - 1999/1/1
N2 - The quaternary compound KCuCe2Se6 was obtained as black needlelike crystals by reacting a mixture of K2Se, Cu, Ce and Se in a 2:1:1:8 ratio at 450°C. The compound crystallizes in the orthorhombic space group Fddd with a = 8.5907(5), b = 11.3962(8) and c = 44.490(3) Å which is a superstructure of the already published structure of KCuCe2Se6 which was described in space group Immm. The Ce3+ ions are in bicapped distorted trigonal prismatic coordination of Se atoms and the Cu+ ions are in tetrahedral environment. The prisms are connected via triangular faces forming rods parallel to the crystallographic a axis. These rods are joined by one capping Se atom and one Se center of the triangular faces thus leading to the formation of anionic layers [CuCe2Se6]nn- within the ab plane. The Cu+ ions occupy only one half of the tetrahedral sites in an ordered fashion in contrast to the statistical occupation reported for the substructure. The charge balancing K+ ions are located between the anionic layers.
AB - The quaternary compound KCuCe2Se6 was obtained as black needlelike crystals by reacting a mixture of K2Se, Cu, Ce and Se in a 2:1:1:8 ratio at 450°C. The compound crystallizes in the orthorhombic space group Fddd with a = 8.5907(5), b = 11.3962(8) and c = 44.490(3) Å which is a superstructure of the already published structure of KCuCe2Se6 which was described in space group Immm. The Ce3+ ions are in bicapped distorted trigonal prismatic coordination of Se atoms and the Cu+ ions are in tetrahedral environment. The prisms are connected via triangular faces forming rods parallel to the crystallographic a axis. These rods are joined by one capping Se atom and one Se center of the triangular faces thus leading to the formation of anionic layers [CuCe2Se6]nn- within the ab plane. The Cu+ ions occupy only one half of the tetrahedral sites in an ordered fashion in contrast to the statistical occupation reported for the substructure. The charge balancing K+ ions are located between the anionic layers.
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U2 - 10.1016/S1293-2558(00)80095-3
DO - 10.1016/S1293-2558(00)80095-3
M3 - Article
AN - SCOPUS:0011645296
VL - 1
SP - 421
EP - 431
JO - Solid State Sciences
JF - Solid State Sciences
SN - 1293-2558
IS - 6
ER -