Materials Data on Al11AgO17 by Materials Project

AgAl11O17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ag1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.75 Å) and two longer (2.89 Å) Ag–O bond lengths. There are five inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–2.03 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Al–O bond distances ranging from 1.70–1.80 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–58°. There is three shorter (1.82 Å) and one longer (1.83 Å) Al–O bond length. In the fourth Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–2.07 Å. In the fifth Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six AlO6 octahedra. There is four shorter (1.91 Å) and two longer (1.92 Å) Al–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Al3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and three Al3+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ag1+ and two equivalent Al3+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Al3+ atoms. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Al3+ atoms. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms.

AgAl₁₁O₁₇结晶于斜方晶系（orthorhombic）的Cmcm空间群。该晶体为三维（three-dimensional）结构。银离子（Ag¹⁺）以六方平面配位（hexagonal planar geometry）方式与六个氧离子（O²⁻）成键，其Ag–O键长包含4个较短的2.75埃与2个较长的2.89埃。存在五个不等价的铝离子（Al³⁺）位点：在第一个Al³⁺位点中，Al³⁺与6个O²⁻成键形成AlO₆八面体（AlO₆ octahedra），该八面体与5个AlO₄四面体（AlO₄ tetrahedra）共享顶角，并与5个AlO₆八面体共享棱边，Al–O键距分布范围为1.82~2.03埃；在第二个Al³⁺位点中，Al³⁺与4个O²⁻成键形成AlO₄四面体（AlO₄ tetrahedra），该四面体与6个AlO₆八面体共享顶角，并与1个AlO₄四面体通过顶角-顶角相连，其共享顶角的八面体倾斜角范围为54°~56°，Al–O键距分布范围为1.70~1.80埃；在第三个Al³⁺位点中，Al³⁺与4个O²⁻成键形成共享顶角的AlO₄四面体，其共享顶角的八面体倾斜角范围为54°~58°，Al–O键长包含3个较短的1.82埃与1个较长的1.83埃；在第四个Al³⁺位点中，Al³⁺与6个O²⁻成键形成AlO₆八面体，该八面体与5个AlO₄四面体共享顶角，并与5个AlO₆八面体共享棱边，Al–O键距分布范围为1.82~2.07埃；在第五个Al³⁺位点中，Al³⁺与6个O²⁻成键形成AlO₆八面体，该八面体与6个等价的AlO₄四面体共享顶角，并与6个AlO₆八面体共享棱边，其Al–O键长包含4个较短的1.91埃与2个较长的1.92埃。存在七个不等价的氧离子（O²⁻）位点：在第一个O²⁻位点中，O²⁻以三角平面配位（trigonal planar geometry）方式与3个Al³⁺成键；在第二个O²⁻位点中，O²⁻以矩形跷板式配位（rectangular see-saw-like geometry）方式与4个Al³⁺成键；在第三个O²⁻位点中，O²⁻以三配位构型与1个Ag¹⁺和3个Al³⁺成键；在第四个O²⁻位点中，O²⁻以畸变直线型配位（distorted linear geometry）方式与2个等价的Ag¹⁺和2个等价的Al³⁺成键；在第五个O²⁻位点中，O²⁻以矩形跷板式配位（rectangular see-saw-like geometry）方式与4个Al³⁺成键；在第六个O²⁻位点中，O²⁻以矩形跷板式配位（rectangular see-saw-like geometry）方式与4个Al³⁺成键；在第七个O²⁻位点中，O²⁻以三角非共面配位（trigonal non-coplanar geometry）方式与3个Al³⁺成键。