title: Reconstructive phase transition in (NH4)3TiF7 accompanied by the ordering of TiF6 octahedra.
abstract: An unusual phase transition P4/mnc → Pa\bar 3 has been detected after cooling the (NH4)3TiF7 compound. Some TiF6 octahedra, which are disordered in the room-temperature tetragonal structure, become ordered in the low-temperature cubic phase due to the disappearance of the fourfold axis. Other TiF6 octahedra undergo large rotations resulting in huge displacements of the F atoms by 1.5-1.8 Å that implies a reconstructive phase transition. It was supposed that phases P4/mbm and Pm\bar 3m could be a high-temperature phase and a parent phase, respectively, in (NH4)3TiF7. Therefore, the sequence of phase transitions can be written as Pm\bar 3m → P4/mbm → P4/mnc → Pa\bar 3. The interrelation between (NH4)3TiF7, (NH4)3GeF7 and (NH4)3PbF7 is found, which allows us to suppose phase transitions in relative compounds.
authors.affiliation: Kirensky Institute of Physics, Akademgorodok 50 bld. 38, 660036 Krasnoyarsk, Russian Federation.
authors.forename: Maxim
authors.initials: M
authors.lastname: Molokeev
authors.affiliation: Institute of Engineering Physics and Radioelectronic of Siberian State University, 660074 Krasnoyarsk, Russian Federation.
authors.forename: S V
authors.initials: SV
authors.lastname: Misjul
authors.affiliation: Kirensky Institute of Physics, Akademgorodok 50 bld. 38, 660036 Krasnoyarsk, Russian Federation.
authors.forename: I N
authors.initials: IN
authors.lastname: Flerov
authors.affiliation: Institute of Chemistry, Vladivostok 660022, Russian Federation.
authors.forename: N M
authors.initials: NM
authors.lastname: Laptash
keywords: ammonium heptafluorotitanate; order–disorder transition; reconstructive phase transition