Materials Data on MnSb2Pb5O11 by Materials Project

Pb5Sb2MnO11 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mn2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mn–O bond distances ranging from 2.26–2.46 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are one shorter (2.34 Å) and four longer (2.49 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–2.92 Å. In the third Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–2.55 Å. Sb5+ is bonded to six O2- atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mn2+, two Pb2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Pb2+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Pb2+, and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in an octahedral geometry to one Mn2+ and five Pb2+ atoms.

Pb₅Sb₂MnO₁₁晶体属于斜方晶系（orthorhombic），空间群为Cmcm，其晶体结构为三维框架结构。二价锰离子（Mn²⁺）以七配位构型与七个氧离子（O²⁻）成键，Mn–O键的键长分布区间为2.26~2.46埃（Å）。体系中存在三个不等价的二价铅离子（Pb²⁺）位点：在第一个Pb²⁺位点中，Pb²⁺以畸变五角平面构型与五个O²⁻成键，包含一条键长为2.34 Å的较短Pb–O键与四条键长为2.49 Å的较长Pb–O键；在第二个Pb²⁺位点中，Pb²⁺采取六配位构型与六个O²⁻成键，Pb–O键的键长分布区间为2.42~2.92 Å；在第三个Pb²⁺位点中，Pb²⁺采取七配位构型与五个O²⁻成键，Pb–O键的键长分布区间为2.41~2.55 Å。五价锑离子（Sb⁵⁺）与六个O²⁻成键，形成共边连接的SbO₆八面体单元，Sb–O键的键长分布区间为1.98~2.10 Å。体系中存在四个不等价的氧离子（O²⁻）位点：在第一个O²⁻位点中，O²⁻以畸变矩形跷跷板构型与一个Mn²⁺、两个Pb²⁺及一个Sb⁵⁺成键；在第二个O²⁻位点中，O²⁻以畸变矩形跷跷板构型与三个Pb²⁺及一个Sb⁵⁺成键；在第三个O²⁻位点中，O²⁻采取三配位构型，与一个Mn²⁺、一个Pb²⁺及两个等价的Sb⁵⁺成键；在第四个O²⁻位点中，O²⁻采取八面体构型，与一个Mn²⁺及五个Pb²⁺成键。