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The structure of Ni(3-amino-4,4′-bipyridine)[Ni(CN)₄] (or known as Ni-BpyNH₂) in powder form was determined using synchrotron X-ray diffraction and refined using the Rietveld refinement technique (R= 8.8%). The orthorhombic (Cmca) cell parameters were determined to bea= 14.7218(3) Å,b= 22.6615(3) Å,c= 12.3833(3) Å,V= 4131.29(9) ų, andZ= 8. Ni-BpyNH₂forms a 3-D network, with a 2-D Ni(CN)₄net connecting to each other via the BpyNH₂ligands. There are two independent Ni sites on the net. The 2-D nets are connected to each other via the bonding of the pyridine “N” atom to Ni2. The Ni2 site is of six-fold coordination to N with relatively long Ni2–N distances (average of 2.118 Å) as compared to the four-fold coordinated Ni1–C distances (average of 1.850 Å). The Ni(CN)₄net is arranged in a wave-like fashion. The functional group, –NH₂, is disordered and was found to be in them-position relative to the N atom of the pyridine ring. Instead of having a unique position, N has ¼ site occupancy in each of the fourm-positions. The powder reference diffraction pattern for Ni-BpyNH₂was prepared and submitted to the Powder Diffraction File (PDF) at the International Centre of Diffraction Data (ICDD). 

The structure of a series of lanthanide iron cobalt perovskite oxides, R (Fe 0.5 Co 0.5 )O 3 ( R = Pr, Nd, Sm, Eu, and Gd), have been investigated. The space group of these compounds was confirmed to be orthorhombic Pnma (No. 62), Z = 4. From Pr to Gd, the lattice parameter a varies from 5.466 35(13) Å to 5.507 10(13) Å, b from 7.7018(2) to 7.561 75(13) Å, c from 5.443 38(10) to 5.292 00(8) Å, and unit-cell volume V from 229.170(9) Å 3 to 220.376(9) Å 3 , respectively. While the trend of V follows the trend of the lanthanide contraction, the lattice parameter “ a ” increases as the ionic radius r ( R 3+ ) decreases. X-ray diffraction (XRD) and transmission electron microscopy confirm that Fe and Co are disordered over the octahedral sites. The structure distortion of these compounds is evidenced in the tilt angles θ, ϕ , and ω , which represent rotations of an octahedron about the pseudocubic perovskite [110] p , [001] p , and [111] p axes. All three tilt angles increase across the lanthanide series (for R = Pr to R = Gd: θ increases from 12.3° to 15.2°, ϕ from 7.5° to 15.8°, and ω from 14.4° to 21.7°), indicating a greater octahedral distortion as r ( R 3+ ) decreases. The bond valence sum for the sixfold (Fe/Co) site and the eightfold R site of R (Fe 0.5 Co 0.5 )O 3 reveal no significant bond strain. Density Functional Theory calculations for Pr(Fe 0.5 Co 0.5 )O 3 support the disorder of Fe and Co and suggest that this compound to be a narrow band gap semiconductor. XRD patterns of the R (Fe 0.5 Co 0.5 )O 3 samples were submitted to the Powder Diffraction File.