Roquesite
	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
	Note: Synthetic sample
	_database_code_amcsd 0013005
	5.52279 5.52279 11.13295 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 1.60 .01315 .01315 .00317 0 0 0
	In 0 0 .5 1.02 .00851 .00851 .00198 0 0 0
	S .22946 .25 .125 1.02 .00918 .00694 .00210 0 0 -.0019
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Roquesite
	Brandt G, Rauber A, Schneider J
	Solid State Communications 12 (1973) 481-483
	ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2
	Locality: Synthetic sample
	Note: chalcopyrite structure
	_database_code_amcsd 0015450
	5.523 5.523 11.12 90 90 90 I-42d
	atom x y z
	Cu 0 0 0
	In 0 0 .5
	S .214 .25 .125
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)

Download in: Amc Format Cif Format Diffraction data

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking