Preparation, properties and crystal structure of barium vanadium sulfide, BaVS₃

Structural aspects of the hexagonal to orthorhombic transition in stoichiometric BaVS3

“…As can be seen from Table 2 our structural refinement yielded interatomic distances and angles which are in good qualitative agreement with the values reported by Gardner et al (1969). The only improvement is in the standard deviations; in general our values are smaller by a factor of three.…”

“…Their results were in agreement with those of Takano et al (1977). Furthermore, they showed that the physical properties and the transition temperatures were sensitive to the sulfur stoichiometry, which partly reconciled the results of Gardner et al (1969) with those of Takano et al (1977). However, Massenet et al (1978) clearly established that there was no correlation between the crystallographic transition occurring at about 258 K and the 70K transition.…”

“…The real and imaginary anomalous-correction coefficients for barium and vanadium were those given by Cromer & Liberman (1970). The positional and thermal parameters of BaVS3 given by Gardner et al (1969) were used as the starting values. All reflections were given unit weight.…”

“…As determined by Gardner, Vlasse & Wold (1969), the structure of BaVS3 is hexagonal and contains a slightly distorted hexagonal-close-packed network which is composed of barium and sulfur atoms. The vanadium atoms occupy one quarter of the octahedral sites of this network, namely those which are made exclusively of sulfur atoms.…”

Structural aspects of the metal–insulator transition in BaVS3

“…BaVS 3 is a quasi-1D metal which exhibits anomalous electronic and magnetic properties [4][5][6][7][8] . Furthermore, BaVS 3 has a unique electronic structure.…”