New thallium diphosphates Tl<inf>2</inf>Me(H<inf>2</inf>P<inf>2</inf>O <inf>7</inf>)<inf>2</inf>·2 H<inf>2</inf>O, Me = Mg, Mn, Co, Ni and Zn. Synthesis, single crystal X-ray structures and powder X-ray structure of the Mg phase

Brahim El Bali, Francesco Capitelli, Aziz Tahiri Alaoui, Mohammed Lachkar, Iván Da Silva, Angel Alvarez-Larena, Juan F. Piniella

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6 Citations (Scopus)

Abstract

Crystals of thallium dihydrogendiphosphate Tl2Me(H 2P2O7)2·2 H2O (Me = Mg (1), Mn (2), Co (3), Ni (4) and Zn (5)), have been synthesized and analyzed by powder X-ray diffractometry (Mg phase) and single crystal X-ray diffractometry (other phases). They resulted to be isostructural within triclinic group P1, with the following unit-cell parameters: a = 6.9620(1), b = 7.3635(1), c = 7.7713(1) Å, α = 81.8014(5), β = 70.8597(6), γ = 86.1373(7)°, V = 372.44(8) Å3 (1); a = 6.9577(6), b = 7.4745(6), c = 7.8248(7) Å, α = 80.723(2), β = 71.912(1), γ = 85.661(1)°, V = 381.62(6) Å3 (2); a = 6.9767(7), b = 7.3634(7), c = 7.7690(7) Å, α = 81.421(2), β = 71.114(2), γ = 86.424(2)°, V = 373.36(6) Å3 (3); a = 6.9658(7), b = 7.3079(7), c = 7.7016(7) Å, α = 81.801(2), β = 71.185(2), γ = 86.528(2)°, V = 367.27(6) Å3 (4) and a = 6.9628(7), b = 7.3625(7), c = 7.7401(8) Å, α = 81.590(2), β = 71.441(2), γ = 86.323(2)°, V = 372.04(6) Å3(5). Me is octahedrally coordinated by two water molecules and four oxygen atoms belonging to two different diphosphate groups. Thallium cations make up interactions with oxygen atoms within Van der Waals coordination sphere, making up irregular coordination polyhedra. The framework of the present compounds can be described as a three-dimensional framework made from vertex-sharing polyhedra. The basic unit is the [Me(H2P2O7)2·2 H2O] moiety, which displays a crystallographic Ci symmetry, with the Me cation on the inversion centre. Such units are held together by an intricate scheme of Tl...O interactions; hydrogen bonds complete the network. © by Oldenbourg Wissenschaftsverlag.
Original languageEnglish
Pages (from-to)448-455
JournalZeitschrift fur Kristallographie
Volume223
Issue number7
DOIs
Publication statusPublished - 15 Sep 2008

Keywords

  • Dihydrogendiphosphate groups
  • Hydrogen bonds
  • Powder diffraction structure analysis
  • Single-crystal structure analysis
  • Thallium cations
  • Three-dimensional framework
  • X-ray diffraction

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