Tutton salt family crystals have already been investigated through various experimental techniques and theoretical-computational methods by several researchers, aiming at the better understanding of physicochemical properties and potential technological applications, mainly as filters for radiation. In this work, we have investigated the magnetic properties of sample crystal of a Tutton salt with the help of vibrating sample magnetometer (VSM). Additionally, the stability of the crystal structure and electronic properties were calculated, as well as a theoretical study of the crystal band structure calculation was performed for (NH₄)₂Mn(SO₄)₂·6H₂O crystal, with the help of ab-initio periodic method based on the density functional theory (DFT). Finally, via Hessian calculations on the Hartree-Fock (HF) platform, the vibrational mode of octahedral Mn(H₂O)₆²⁺ and tetrahedral NH₄⁺, SO₄²⁻ components of the crystals were investigated and compared with experimental Raman spectroscopy results.

几位研究人员已经通过各种实验技术和理论计算方法对塔顿盐家族晶体进行了研究，旨在更好地了解物理化学特性和潜在的技术应用，主要是作为辐射过滤器。在这项工作中，我们借助振动样品磁强计 (VSM) 研究了 Tutton 盐样品晶体的磁性。此外，计算了晶体结构的稳定性和电子性质，并对(NH ₄ ) ₂ Mn(SO ₄ ) ₂ ·6H ₂的晶体能带结构计算进行了理论研究。O 晶体，借助基于密度泛函理论 (DFT) 的 ab-initio 周期方法。最后，通过在 Hartree-Fock (HF) 平台上的 Hessian 计算，研究了晶体的八面体 Mn(H ₂ O) ₆ ²⁺和四面体 NH ₄ ⁺ , SO ₄ ²⁻组分的振动模式，并与实验拉曼进行了比较光谱结果。