Materials Data on Pb2BrOF by Materials Project

Pb2OBrF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to two equivalent O2-, three equivalent Br1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.36 Å. There are one shorter (3.33 Å) and two longer (3.57 Å) Pb–Br bond lengths. Both Pb–F bond lengths are 2.58 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. Br1- is bonded in a 8-coordinate geometry to six equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.

溴氧氟铅（Pb₂OBrF）晶体属于斜方晶系（Orthorhombic）Cmme空间群，其晶体结构为三维框架结构。铅离子（Pb²+）以四配位几何构型与两个等价的氧离子（O²-）、三个等价的溴离子（Br¹-）以及两个等价的氟离子（F¹-）成键：铅-氧键长均为2.36埃（Å），铅-溴键存在一组较短键长（3.33埃（Å））与两组较长键长（3.57埃（Å）），铅-氟键长均为2.58埃（Å）。氧离子（O²-）与四个等价的铅离子成键，形成畸变的OPb₄四面体；该四面体分别与四个等价的FPb₄四面体共享顶点，与两个等价的OPb₄四面体共享棱，同时与两个等价的FPb₄四面体共享棱。溴离子（Br¹-）以八配位几何构型与六个等价的铅离子成键。氟离子（F¹-）与四个等价的铅离子成键，形成畸变的FPb₄四面体；该四面体分别与四个等价的OPb₄四面体共享顶点，与两个等价的OPb₄四面体共享棱，同时与两个等价的FPb₄四面体共享棱。