X-ray resonant single-crystal diffraction technique, a powerful tool to investigate the kesterite structure of the photovoltaic Cu2ZnSnS4 compound

Lafond, A.; Choubrac, L.; Guillot-Deudon, C.; Fertey, P.; Evain, M.; Jobic, S.

doi:10.1107/S2052520614003138

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
Atomic positions in the z = 1/4 plane in the ordered kesterite (a) and disordered kesterite (b) structures, respectively, in $[I\bar 4]$ and $[I\bar 42m]$ space groups. When Cu and Zn are randomly distributed new symmetry operations (diagonal mirror planes, full lines) have to be taken into account leading to the space group $[I\bar 42m]$ . This higher symmetry impacts the positioning of the S atoms (xxz in $[I\bar 42m]$ instead of xyz in $[I\bar 4]$ ).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 70| Part 2| March 2014| Pages 390-394

doi:10.1107/S2052520614003138

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