CsTlCl3 and CsTlF3 perovskites have been theoretically predicted to be superconductors when properly hole-doped. Both compounds have been previously prepared as pure compounds: CsTlCl3 in a tetragonal (I4/m) and a cubic ( @entity55772  m) perovskite polymorph and CsTlF3 as a cubic @entity15109 ( @entity55772  m). In this work, substitution of Tl in CsTlCl3 with Hg is reported, in an attempt to hole-dope the system and induce superconductivity. The whole series @entity68539 -xHgxCl3 (x = 0.0, 0.1, 0.2, 0.4, 0.6, and 0.8) was prepared. CsTl0.9Hg0.1Cl3 is tetragonal as the more stable phase of CsTlCl3. However, CsTl0.8Hg0.2Cl3 is already cubic with the space group @entity55772  m and with two different positions for Tl(+) and @entity68540 . For x = 0.4 and 0.5, solid solutions could not be formed. For x >=  0.6, the samples are primitive cubic perovskites with one crystallographic position for Tl(+), @entity68540 , and @entity10694 . All of the samples formed are insulating, and there is no signature of superconductivity. X-ray absorption spectroscopy indicates that all of the samples have a mixed-valence state of Tl(+) and @entity68540 . Raman spectroscopy shows the presence of the active Tl-Cl-Tl stretching mode over the whole series and the intensity of the @entity28400 -Hg mode increases with increasing Hg content. First-principle calculations confirmed that the phases are insulators in their ground state and that Hg is not a good dopant in the search for superconductivity in this system.

Hole Doping and Structural Transformation in XXXX -xHgxCl3.

@entity10694 :: ('CHEBI:25198', 'Chemical') :: ['Hg(2+)'] @entity28400 :: ('CHEBI:32213', 'Chemical') :: ['Tl-Cl'] @entity68540 :: ('CHEBI:30439', 'Chemical') :: ['Tl(3+)'] @entity68539 :: ('128817', 'Gene') :: ['CsTl1'] @entity55772 :: ('10316', 'Gene') :: ['Fm3'] @entity15109 :: ('MESH:C059910', 'Chemical') :: ['perovskite']
@entity68539 :: (128817,Gene) :: ['CsTl1']
