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Structural transition and anisotropic magnetism in disordered Zintl phase Eu 7 Ga 6 Sb 8

Single crystals of the Zintl compound Eu 7 Ga 6 Sb 8 were synthesized using a Ga-Sb flux. We report the temperature (T) and magnetic field (H) dependence of the magnetic susceptibility (χ), magnetization (M), resistivity (ρ), specific heat (C), and thermal expansion (α). We also report high-resolution powder x-ray diffraction data that support a structural phase transition with accompanying signatures seen in C(T), ρ(T), and α(T). We find Eu 7 Ga 6 Sb 8 exhibits antiferromagnetic ordering at T N1 = 9.0 K from anomalies seen in χ(T), C(T), and α(T), as well as a potential reorientation of Eu 2+ spins at T N2 = 7.5 K and T N3 = 7.2 K. In conclusion, density functional theory calculations predict Eu 7 Ga 6 Sb 8 to be semiconducting; however, electrical resistivity measurements show bad-metal behavior that indicates the presence of disorder.

36 MATERIALS SCIENCE↗

Materials Data on GaSb by Materials Project

GaSb is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent Sb3- atoms to form corner-sharing GaSb4 tetrahedra. There are three shorter (2.69 Å) and one longer (2.70 Å) Ga–Sb bond lengths. Sb3- is bonded to four equivalent Ga3+ atoms to form corner-sharing SbGa4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on GaSb3 by Materials Project

GaSb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ga3+ is bonded in a body-centered cubic geometry to eight equivalent Sb1- atoms. All Ga–Sb bond lengths are 3.23 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a body-centered cubic geometry to four equivalent Ga3+ and four equivalent Sb1- atoms. All Sb–Sb bond lengths are 3.23 Å. In the second Sb1- site, Sb1- is bonded in a body-centered cubic geometry to eight equivalent Sb1- atoms.

36 MATERIALS SCIENCE↗