and KNO3/KN3, or RbNO3/RbN3, respectively. The two new members of manganese (II/III) mixed-valent oxides have been studied by single-crystal X-ray diffraction, magnetic susceptibility measurements and density functional theory calculations (DFT). Both crystal structures [K5Mn3O6: Pna21, Z = 4, a = 1632.43(7), b = 970.07(4), c = 616.48(3) pm, R1 = 0.051; Rb8Mn5O10: P21/c, Z = 8, a = 1223(2), b = 2717(3)
K5Mn3O6 和 Rb8Mn5O10 分别由 MnO 和
KNO3/KN3 或 RbNO3/RbN3 的
化学计量混合物通过
叠氮化物/
硝酸盐路线合成。通过单晶 X 射线衍射、磁化率测量和密度泛函理论计算 (DFT) 研究了
锰 (II/III) 混合价氧化物的两个新成员。两种晶体结构 [K5Mn3O6: Pna21, Z = 4, a = 1632.43(7), b = 970.07(4), c = 616.48(3) pm, R1 = 0.051; Rb8Mn5O10: P21/c, Z = 8, a = 1223(2), b = 2717(3), c = 1220(2) pm, β = 118.25(2)°, R1 = 0.086] 显示准一维[ MnO2]n– 链,由共享边缘的
MnO4 四面体组成。Mn2+ 和 Mn3+ 的完全电荷有序沿着链方向观察到,重复单元为 [-Mn3+--Mn2+-Mn2+-]