CoAl2O4 spinel with magnetic Co2+ ions on the diamond A-lattice is known to be magnetically frustrated. We compare neutron single crystal diffraction patterns measured in zero and applied magnetic fields with the ones obtained from classical Monte-Ca
rlo models. In simulations we test the influence of various parameters on diffraction patterns: the ratio of nearest-, J1, and next-nearest, J2, neighbor interactions, magnetic field applied along the principal crystallographic directions, and random disorder on the A(Co2+)- and B(Al3+)- sites. We conclude that the models considered so far explain the broadening of magnetic Bragg peaks in zero magnetic field and their anisotropic response to applied magnetic field only partly. As bulk properties of our single crystal are isotropic, we suggest that its microstructure, specifically <111>-twin boundaries, could be a reason of the nonconventional magnetic order in CoAl2O4.
