In this communication, a systematic study of the surface structure, including energy management during morphological transformations of tetragonal phase of LaVO4 , has been carried out. For this study, we combined experimental findings and first-principles calculations to develop a Wulff construction model. Our findings can help further understand the synthetic control of crystal shape via tuning of surface chemistry ; Generalitat-Valenciana PrometeoII/2014/022 ACOMP/2014/270 Ministerio de Economia y Competitividad CTQ2012-36253-C03-02 FAPESP 2013/07296-2 2013/26671-9 CNPq 479644/2012-8 350711/2012-7 304531/2013-8 151136/2013-0 Programa de Cooperacion Cientifica con Iberoamerica (Brasil) of Ministerio de Educacion PHBP14-00020 Ministerio de Economia y Competitividad, 'Salvador Madariaga' program PRX15/00261 CAPES