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Structure of III a ‐ZnIn 2 S 4 under High Pressure
Author(s) -
Tinoco T.,
Polian A.,
Itié J. P.,
López S. A.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199901)211:1<385::aid-pssb385>3.0.co;2-g
Subject(s) - octahedron , bulk modulus , crystallography , tetrahedron , diffraction , close packing of equal spheres , phase transition , hexagonal crystal system , crystal structure , phase (matter) , materials science , trigonal crystal system , group (periodic table) , condensed matter physics , chemistry , physics , optics , organic chemistry
The only member of the II–III 2 –VI 4 semiconductor family with layered structure is ZnIn 2 S 4 . At ambient conditions several polytypes of this compound have been reported. Energy dispersive X‐ray diffraction of ZnIn 2 S 4 has been realized at high pressure up to 18 GPa. The structure of this polytype III a ‐ZnIn 2 S 4 is rhombohedral with space group R3‐m. It consists of a close‐packed arrangement of S atoms, with Zn and half of the In atoms randomly distributed on tetrahedral sites, and the other half of the In atoms located on octahedral sites. The hexagonal axes are a = (3.873 ± 0.002) Å and c = (37.067 ± 0.004) Å ( V = 482 Å 3 , Z = 3). No phase transition has been observed between 0 and 18 GPa. The bulk modulus, obtained by fitting the data to a first‐order Murnaghan equation of state is B = (82 ± 8) GPa.