Crystal structure of Ag2In2GeSe6

Syntheses, structures, and optical properties of Ba4MInSe6 (M=Cu, Ag)

“…The Ba ÀSe distances range from 3.3177(8) to 3.471(1)Å in Ba 4 AgInSe 6 and from 3.288(1)Å to 3.419(1)Å in Ba 4 CuInSe 6 , which are close to those in Ba 4 AgGa 5 Se 12 (3.3026(9) to 3.693(1)Å) [25]; the (Ag/In) À Se distances of 2.612(1) to 2.6602(6)Å in Ba 4 AgInSe 6 are comparable to those of 2.574(1) to 2.623(1)Å in Ag 2 In 2 GeSe 6 [34]; the (Cu/In)À Se distances range from 2.529(2) to 2.6136(9)Å in Ba 4 CuInSe 6 , which are close to those of 2.569(1)Å in As 0.5 Cu 0.25 In 0.75 Se 0.5 [35] and 2.485(1)-2.552(1)Å in As 1.2 Cu 3.4 In 4.6 Se 6.8 [36].…”

The Ag2S–In2S3–Si(Ge)S2 systems and crystal structure of quaternary sulfides Ag2In2Si(Ge)S6

“…The basis model for the computation of the crystal structure of the quaternary phases was the structure of the Ag 2 In 2 GeSe 6 compound [8]. Six positions of selenium were occupied by sulfur, in case of Ag 2 In 2 SiS 6 Ge was changed to Si, the positions of other atoms remained unchanged.…”

“…A quaternary analogue of such phases is the Ag 2 In 2 GeSe 6 compound that was discovered in Ref. [8]. Later, LT-Ag 2 In 2 SiSe 6 compound was added to the isostructural series [7].…”

“…The results show that nearly all compounds form at the AgB III X 2 -C IV X 2 sections with a 2:1 ratio for the quaternary phases Cu 2 In 2 SiS 6 (space group (SG) Cc) [6], Ag 2 In 2 SiSe 6 (SG Cc) [7], Ag 2 In 2 GeSe 6 (SG Cc) [8]; and 1:1 ratio for the phases AgGaGeS 4 (SG Fdd2) [3], AgInSnS 4 (SG Fd3m) [9], Ag 0.735 InGeSe 4 (SG P42c) [10], AgInSnSe 4 [5]. Only one compound, AgGaGe 3 Se 8 (SG Fdd2) [11], corresponds to the ratio of 1:3.…”

X-ray powder diffraction refinement of Ag2In2SiSe6 structure and phase diagram of the AgInSe2–SiSe2 system

“…The lattice parameters are: a = 1.26683(4) nm, b = 0.74565(3) nm, c = 1.26133(4) nm, β = 109.286(2) • and V = 1.1246(1) nm 3 . The computation of the crystal structure of this quaternary phase was based on the model of Ag 2 In 2 GeSe 6 structure [19]. Both the fully ordered structure model and various versions of statistical occupation of the cation sub-lattice were computed.…”