Materials Data on NdAsRuO by Materials Project

NdRuAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Nd–As bond lengths are 3.39 Å. All Nd–O bond lengths are 2.36 Å. Ru2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing RuAs4 tetrahedra. All Ru–As bond lengths are 2.44 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Ru2+ atoms. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.

NdRuAsO是铁砷超导体的母相，其晶体属于四方晶系P4/nmm空间群，整体为三维结构。钕离子（Nd3+）采用四配位几何构型，与四个等价的砷离子（As3-）和四个等价的氧离子（O2-）成键；所有Nd-As键的键长均为3.39 Å，所有Nd-O键的键长均为2.36 Å。钌离子（Ru2+）与四个等价的砷离子（As3-）成键，形成兼具共边和共顶点连接方式的RuAs4四面体结构；所有Ru-As键的键长均为2.44 Å。砷离子（As3-）采用八配位几何构型，与四个等价的钕离子（Nd3+）和四个等价的钌离子（Ru2+）成键。氧离子（O2-）与四个等价的钕离子（Nd3+）成键，形成兼具共边和共顶点连接方式的ONd4四面体结构。