Four-dimensional incommensurately modulated structure of thulium polyphosphate

FA-XUE Ma ^[1] ; DAN ZHAO ^[1] ; HONG YANG ^[1] ; PENG-FEI CHEN ^[1] ; RUI-JUAN YANG ^[1] ; SHAN-XUAN WU ^[1]
1. [1] Henan Polytechnic University
  
  Henan Polytechnic University
  
  China
Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 61, Nº. 2, 2016, págs. 3005-3008
Idioma: inglés
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Resumen
- Single crystal of rare-earth polyphosphate Tm(PO3)3 has been grown under high temperature molten-salt method and structurally characterized by single crystal X-ray diffraction analysis. Using the four-dimensional superspace formalism for aperiodic structures, we performed the crystal structure refinement of Tm(PO3)3 as (3+1)-dimensional incommensurately modulated structure with monoclinic superspace group C2/c(0, 0.358, 0)s0 and α = 14.0620 (12) Å, b = 6.6612 (6) Å, c = 10.0191 (9) Å, β = 127.6043 (9)°, V = 743.51 (11) Å³, Z = 4, Mr = 405.8, Dc = 3.626 g/cm³, F(000) = 744, μ(MoKα) = 12.60 mm'¹, R = 0.048 and ωR = 0.050. The structure features infinite chains of corner-sharing PO4 tetrahedra which are affected by positional modulation running along the b-axis. The final structure model was reasonable and did not show any unusual features.