Rietveld refinement of X-ray powder data and bond-valence calculations of NdSrNi0.5Cr0.5O4-δ compound

Compound from the solid-solution NdSrNi1−xCrxO4−δ, 0≤x≤1, has been prepared using conventional solid-state method and was characterized by X-ray powder diffraction. The NdSrNi0.5Cr0.5O4−δ sample shows the adoption of the K2NiF4-type structure based on the tolerance factor calculation. X-ray diffraction analysis using the Rietveld method was carried out and it was found that NdSrNi0.5Cr0.5O4−δ compound crystallizes in tetragonal symmetry with space group I4/mmm. The lattice parameters are found to be at room temperature, a=3.8012(3) Å and c=12.4812(1) Å. For X-ray diffraction data, the reliability factors are RB=0.034, Rwp=0.089, , and χ2=1.17. Bond-valence sum calculations were performed for nickel and chromium. The changes in unit-cell parameters are discussed in terms of oxygen stoichiometry and transition metal (3d) oxidation state from the perspective of the Brown bond-valence sum calculation theory.

[1]  M. Amami,et al.  Neutron powder diffraction studies of NdSrNi1−xCuxO4−δ, 0⩽x⩽1, and magnetic properties , 2006 .

[2]  T. Roisnel,et al.  Structural and electrical changes in NdSrNiO4−δ by substitute nickel with copper , 2004 .

[3]  J. E. Millburn,et al.  LaSrCrxNi1-xO4+δ: Crystal Chemistry, Magnetism, and the Stabilization of NiI in an Oxide Environment , 1997 .

[4]  P. Lundqvist,et al.  Neutron-diffraction studies and interatomic distances in CaPr doped NdBa2Cu3O7−δ , 1996 .

[5]  Chowdhury,et al.  Muon-spin-relaxation studies of magnetic order in heavily doped La2-xSrxNiO4+ delta. , 1996, Physical review. B, Condensed matter.

[6]  Chen,et al.  O 1s near-edge x-ray absorption of La2-xSrxNiO4+ delta : Holes, polarons, and excitons. , 1996, Physical review. B, Condensed matter.

[7]  Lorenzo,et al.  Charge and spin ordering in La2-xSrxNiO4.00 with x=0.135 and 0.20. , 1995, Physical review. B, Condensed matter.

[8]  H. Takizawa,et al.  Effects of Divalent Cation Substitution on Sinterability and Electrical Properties of LaCrO3 Ceramics , 1994 .

[9]  Chen,et al.  Charge-ordered states in (La,Sr)2NiO4 for hole concentrations nh=1/3 and 1/2. , 1994, Physical review. B, Condensed matter.

[10]  Chen,et al.  Charge modulations in La2-xSrxNiO4+y: Ordering of polarons. , 1993, Physical review letters.

[11]  H. Höfer,et al.  Crystal Chemistry and Thermal Behavior in the La ( Cr , Ni ) O 3 Perovskite System , 1993 .

[12]  M. Vallet‐Regí,et al.  Band gap closing in La2-xSrxNiO4+δ , 1993 .

[13]  J. Rodríguez-Carvajal,et al.  Neutron-diffraction study of RNiO3 (R=La,Pr,Nd,Sm): Electronically induced structural changes across the metal-insulator transition. , 1992, Physical review. B, Condensed matter.

[14]  N. Imanishi,et al.  Crystal chemistry and transport properties of Nd2−xAxNiO4 (A=Ca, Sr, or Ba, 0≤x≤1.4) , 1992 .

[15]  K. Westerholt,et al.  Electronic charge transport and magnetism of the system (La1−xSrx)2NiO4+δ , 1991 .

[16]  Y. Maeno,et al.  Two-dimensional antiferromagnetic correlation with spin in magnetic susceptibility of (La, Sr)2NiO4 , 1991 .

[17]  Rupp,et al.  Magnetic and electrical properties of La2-xSrxNiO4+/- delta. , 1991, Physical review. B, Condensed matter.

[18]  M. Greenblatt,et al.  Investigations on the structural, electrical, and magnetic properties of Nd2-xSrxNiO4+δ , 1990 .

[19]  J. Tallon.  The relationship between bond-valence sums and Tc in cuprate superconductors , 1990 .

[20]  J. Goodenough,et al.  Crystal chemistry and physical properties of La2-xSrxNiO4(0≤ x ≤ 1.6) , 1990 .

[21]  J. Honig,et al.  Influence of nonstoichiometry on the magnetic properties of Pr2NiO4 and Nd2NiO4 , 1988 .

[22]  Gervais,et al.  Two-dimensional plasmons in nonstoichiometric La2NiO , 1987, Physical review. B, Condensed matter.

[23]  I. D. Brown,et al.  Bond‐valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database , 1985 .

[24]  C. Rao,et al.  Composition-controlled metal-insulator transitions and minimum metallic conductivity in the oxide systems LaNi1−xMxO3 (M = Cr, Mn, Fe, or Co) , 1984 .

[25]  C. Rao,et al.  Crystal chemistry and magnetic properties of layered metal oxides possessing the K2NiF4 or related structures , 1984 .

[26]  I. Brown.  Bond valences—a simple structural model for inorganic chemistry , 1978 .

[27]  R. D. Shannon.  Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides , 1976 .

[28]  P. Hagenmuller,et al.  Sur quelques nouveaux composés oxygénés du nickel + III de structure K2NiF4 , 1976 .