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CeMg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. All Mg–Ce bond lengths are 3.32 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
CeMg crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent MgCe3Mg9 cuboctahedra, corners with twelve equivalent CeCe9Mg3 cuboctahedra, edges with six equivalent CeCe9Mg3 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with eight equivalent CeCe9Mg3 cuboctahedra, and faces with twelve equivalent MgCe3Mg9 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.22 Å) Mg–Mg bond lengths. All Mg–Ce bond lengths are 3.44 Å. Ce is bonded to three equivalent Mg and nine equivalent Ce atoms to form CeCe9Mg3 cuboctahedra that share corners with six equivalent CeCe9Mg3 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent MgCe3Mg9 cuboctahedra, edges with twelve equivalent CeCe9Mg3 cuboctahedra, faces with eight equivalent MgCe3Mg9 cuboctahedra, and faces with twelve equivalent CeCe9Mg3 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.61 Å) Ce–Ce bond lengths.
MgO6Ce(NO3)6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four magnesium;dihydroxide;tetrahydrate molecules and four nsc 4314 molecules.
The structural, thermal, electrical transport, and magnetic properties of ternary compounds BaT 2 P 2 (T = Ru, Pd) are reported together with electronic structure calculations. Our results show that BaRu 2 P 2 crystallises in the layered tetragonal ThCr 2 Si 2 -type structure (space group I4/mmm) whereas BaPd 2 P 2 adopts the primitive tetragonal CeMg 2 Si 2 -type structure (space group P4/mmm). The combined experimental results and electronic structure calculations suggest metallic and diamagnetic ground states for both materials. Electrical transport measurements further indicate non-Fermi liquid behaviour at low temperatures. Notably, BaRu 2 P 2 exhibits an anomalous feature in the magnetic susceptibility at T ~ 260 K, similar to that observed in BaRu 2 As 2 . A comparison between the bare density of states obtained from electronic structure calculations and the experimentally estimated values suggests the presence of strong correlation effects in the material. Furthermore, the heat capacity of BaPd 2 P 2 , calculated using the full phonon dispersion relation, is in good agreement with the experimental data, particularly at low temperatures, highlighting the significant contribution of optical phonon branches to C P in this temperature range.