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X-ray powder diffraction refinement of Ag2In2SiSe6structure and phase diagram of the AgInSe2–SiSe2system

Authors
Journal
Journal of Alloys and Compounds
0925-8388
Publisher
Elsevier
Publication Date
Volume
414
Identifiers
DOI: 10.1016/j.jallcom.2005.07.025
Keywords
  • Semiconductors
  • Crystal Structure
  • X-Ray Powder Diffraction

Abstract

Abstract The phase diagram of the AgInSe 2–SiSe 2 system was investigated using the results of differential thermal analysis and X-ray diffraction. The existence of a new quaternary phase, Ag 2In 2SiSe 6, was discovered in the system; it melts congruently at 1100 K and has a polymorphous transition at 1040 K. The crystal structure of the low-temperature (LT) modification of this phase was investigated using powder X-ray diffraction. Ag 2In 2SiSe 6 crystallizes in a monoclinic structure, space group (S.G.) Cc (structural type Ag 2In 2GeSe 6), with lattice parameters a = 1.26683(4) nm, b = 0.74565(3) nm, c = 1.26133(4) nm and β = 109.286(2)°. The atomic parameters were refined in the isotropic approximation to R I = 0.0758 and R P = 0.1096.

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