Crystal structures of the R2CuInS5 (R=La, Ce, Pr, Nd and Sm) compounds

Contribution of Disulfide S22– Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In)

“…The In2ÀIn3 distance is 1.062(8) Å. (Table 5) Similar positional disorder has been found on two copper atoms in La 2 CuInS 5 37 in which the occupancies of Cu1 and Cu2 are 18 and 82%, respectively, and the Cu1ÀCu2 distance is 0.61 Å. Note that the coordinates of the principal axial atoms in the linear dimeric In 2 S 7 anion and InS 4 anion (namely, In1, S4, In2, In3, S6, and In4 atoms) differ only in z as listed in Table 2, which indicate that they are lined up in a straight line.…”

Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5 (Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5

“…To better describe the connectivity among the polyhedra, Cu(1) and Cu(2) atoms can be considered as one average Cu site sitting in the cavities of a distorted trigonal bipyramid, as shown in Figure 2 a U eq is defined as one-third of the trace of the orthogonalized U ij tensor. Ln 2 YbCuQ 5 are isotypic with the recently reported indium compounds, Ln 2 InCuQ 5 (Ln = La, Ce, Pr, Nd, Sm; Q = S, Se), [54][55][56] which is not surprising, considering the similar sizes of Yb 3þ (1.01 Å) and In 3þ (0.94 Å). 51 In the structure of Ln 2 In-CuS 5 , Cu atoms disorder into two close positions as the title ytterbium phases.…”

“…51 In the structure of Ln 2 In-CuS 5 , Cu atoms disorder into two close positions as the title ytterbium phases. 54 In contrast, the Cu position in La 2 InCuSe 5 is fully occupied and ordered. 56 Note that La 3 CuO 2 S 3 46 adopts a similar formula and the same space group as Ln 2 YbCuQ 5 ; however, their structures are clearly different.…”

Investigation of the R2Se3–Cu2Se–In2Se3 (R=La, Pr, Y and Er) systems at 870K and crystal structure of the R2CuInSe5 (R=La, Ce and Pr) compounds

“…The lattice parameters for R 2 CuInSe 5 (R = La and Ce) are given in Table 1. Tacking into account the composition of the compounds, intensities of the reflections and obtained lattice parameters the crystal structure of the recently investigated by us La 2 CuInS 5 compound (La 2 CuInS 5 structure type, space group Pnma, a = 1.1487 nm, b = 0.39760 nm, c = 1.6911 nm) [26] was used as a starting model for the investigation of the crystal structure of R 2 CuInSe 5 (R = La, Ce and Pr). The presence of La 2 Se 3 Fig.…”