Materials Data on Ga(FeO2)2 by Materials Project

Ga(FeO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent FeO6 octahedra, and edges with four equivalent GaO6 octahedra. There are four shorter (2.07 Å) and two longer (2.16 Å) Fe–O bond lengths. In the second Fe+2.50+ site, Fe+2.50+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with six equivalent FeO6 octahedra and corners with six equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There is two shorter (1.92 Å) and two longer (1.96 Å) Fe–O bond length. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent GaO6 octahedra, and edges with four equivalent FeO6 octahedra. All Ga–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.50+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Fe+2.50+ and two equivalent Ga3+ atoms.

Ga(FeO₂)₂ 为类尖晶石结构，结晶于正交晶系（Orthorhombic）的Imma空间群。该结构为三维框架结构。体系中存在两类不等价的氧化态为+2.5的铁离子（Fe+2.50+）位点。在第一类Fe+2.50+位点中，Fe+2.50+与六个O²⁻离子配位，形成FeO₆八面体；该八面体与六个等价的FeO₄四面体共享顶角，与两个等价的FeO₆八面体共享棱边，同时与四个等价的GaO₆八面体共享棱边。Fe–O键长分为两类：四个较短键长为2.07 Å，两个较长键长为2.16 Å。在第二类Fe+2.50+位点中，Fe+2.50+与四个O²⁻离子配位，形成FeO₄四面体；该四面体与六个等价的FeO₆八面体共享顶角，同时与六个等价的GaO₆八面体共享顶角。共享顶角的八面体倾斜角范围为56°~58°。Fe–O键长分为两类：两个较短键长为1.92 Å，两个较长键长为1.96 Å。Ga³⁺与六个O²⁻离子配位，形成GaO₆八面体；该八面体与六个等价的FeO₄四面体共享顶角，与两个等价的GaO₆八面体共享棱边，同时与四个等价的FeO₆八面体共享棱边。所有Ga–O键长均为2.03 Å。体系中存在两类不等价的O²⁻位点。在第一类O²⁻位点中，O²⁻以矩形跷跷板状配位几何构型与三个Fe+2.50+和一个Ga³⁺原子配位。在第二类O²⁻位点中，O²⁻以矩形跷跷板状配位几何构型与两个Fe+2.50+和两个等价的Ga³⁺原子配位。