Comparative study of the high-pressure behavior of ZnV2O6, Zn2V2O7, and Zn3V2O8

Abstract

P09.-A high-pressure, low temperature, synchrotron single crystal x-ray diffraction study of the ordering of the confined water in microporous AlPO4-54•xH2O

Density-functional study of pressure-induced phase transitions and electronic properties of Zn2V2O7

“…As a consequence, their properties are being currently systematically studied. [1][2][3][4][5][6][7][8] In addition to technological applications, Zn 2 V 2 O 7 has recently raised attention because of its interesting behavior under high-pressure conditions. 8 In particular, it has been reported that Zn 2 V 2 O 7 (with a bulk modulus of 58 GPa (ref.…”

“…7)) is extremely more compressible that related vanadates like ZnV 2 O 6 and Zn 3 V 2 O 8 (with bulk moduli of 129 and 120 GPa, respectively). 7 Not only that, differences between the compressibility of Zn 2 V 2 O 7 and other vanadates also affect the structural stability under compression. According to X-ray diffraction experiments, Zn 2 V 2 O 7 experiences three structural phase transitions under relative small compression (pressure < 11 GPa), while in the other compounds there are no phase transitions in the same pressure range.…”

“…According to X-ray diffraction experiments, Zn 2 V 2 O 7 experiences three structural phase transitions under relative small compression (pressure < 11 GPa), while in the other compounds there are no phase transitions in the same pressure range. 7 In particular, in Zn 2 V 2 O 7 the transition from the ambient-pressure monoclinic polymorph (a-phase) to another monoclinic polymorph (bphase) occurs at 1.1 GPa (ref. 7) and subsequent transitions take place at 3.8 GPa) (to a triclinic polymorphs named as g-phase) and 10.8 GPa (post-g-phase).…”

“…7 In particular, in Zn 2 V 2 O 7 the transition from the ambient-pressure monoclinic polymorph (a-phase) to another monoclinic polymorph (bphase) occurs at 1.1 GPa (ref. 7) and subsequent transitions take place at 3.8 GPa) (to a triclinic polymorphs named as g-phase) and 10.8 GPa (post-g-phase). 7 For two of the high-pressure (HP) polymorphs (b and g) a crystal structure has been proposed from previous X-ray diffraction studies; however, the crystal structures have not been properly solved.…”

“…7) and subsequent transitions take place at 3.8 GPa) (to a triclinic polymorphs named as g-phase) and 10.8 GPa (post-g-phase). 7 For two of the high-pressure (HP) polymorphs (b and g) a crystal structure has been proposed from previous X-ray diffraction studies; however, the crystal structures have not been properly solved. 7 The proposed structures involve large changes in the unit-cell volume and a modication of the coordination polyhedra.…”