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Crystal structures of the new diphosphates,K2NiP2O7 and K6Sr2Ni5(P2O7)5
Authors:A. ElMaadi  A. Boukhari  E. M. Holt
Affiliation:(1) Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Rabat, Maroc;(2) Department of Chemistry, Oklahoma State University, 74078 Stillwater, Oklahoma
Abstract:Crystalline K2NiP2O7 (I): monoclinic, P21,a=9.230(2),b=17.540(8),c=8.319(9)Å, beta=91.44(2)°,Z=8,dcalc=3.067 g cm–3, lambdaMoKagr=0.71069Å,R/Rw=6.5/9.4%, is characterized by the existence of face sharing NiO6 octahedra with Ni–Ni separation of 2.827 Å (Ni–O; 1.93(2)–2.17(2)Å). K+ is seen in sites of seven, six, and fivefold coordination (K–O, averages; 2.83(2), 2.81(2), and 2.77(2)Å, respectively) P2O74– groups are observed in semieclipsed conformation. K6Sr2Ni5(P2O7)5 (II) crystallizes in monoclinic space group P21/c;a=11.038(7),b=9.533(13),c=7.438(2)Å, beta=100.13(4)°,Dcalc=3.309 g cm–3,Z=2,R/Rw=6.4/8.1%. Nickel atoms are distributed on planes parallel to the crystallographic (100) plane at chi=0 and chi=0.5. On the planes, chi=0, Ni2+ ions form successive linked trimers of edge sharing NiO6 octahedra (Ni–Ni, 3.018(1), 3.008(1)Å; Ni–O, av 2.07(2)Å). The intermediate planes (chi=0.5) contain isolated and six coordinate Ni2+ ions (Ni–O av. 2.09(2)Å). Seven-coordinate potassium ions (K–O, av. 2.74(2)Å) are located on intermediate planes at chi=0.25 and 0.75. P2O74– groups are found in eclipsed conformation. Strontium atoms are located between nickel and potassium planes and are surrounded by seven oxygen atoms (Sr–O, av. 2.586(2)Å).
Keywords:Diphosphate  ionic radii  isotypical
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