Gallite Abrahams S C, Bernstein J L Journal of Chemical Physics 59 (1973) 5415-5420 Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites Locality: Synthetic sample _database_code_amcsd 0013004 5.34741 5.34741 10.47429 90 90 90 I-42d atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Cu 0 0 0 1.42 .01179 .01179 .00306 0 0 0 Ga 0 0 .5 .76 .00691 .00691 .00182 0 0 0 S .25385 .25 .125 .83 .00097 .01680 .00178 0 0 .00035