Materials Data on KSb3O5 by Materials Project

KSb3O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.07 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.67 Å. In the second Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.27 Å. In the third Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and three Sb3+ atoms.

五氧化三锑酸钾（KSb₃O₅）以单斜晶系P2₁/c空间群结晶，其结构为三维骨架结构。钾离子（K⁺）采取七配位构型，与七个氧离子（O²⁻）成键，K–O键的键长分布在2.72~3.07 Å之间。体系中存在三个不等价的锑(III)（Sb³⁺）位点：在第一个Sb³⁺位点中，Sb³⁺以畸变矩形跷跷板型配位构型与四个O²⁻成键，Sb–O键长范围为2.01~2.67 Å；在第二个Sb³⁺位点中，Sb³⁺以矩形跷跷板型配位构型与四个O²⁻成键，Sb–O键长范围为2.01~2.27 Å；在第三个Sb³⁺位点中，Sb³⁺以三配位构型与三个O²⁻成键，Sb–O键长范围为1.97~2.03 Å。体系中另有五个不等价的O²⁻位点：在第一个O²⁻位点中，O²⁻采取四配位构型，与两个等价的K⁺及两个Sb³⁺成键；在第二个O²⁻位点中，O²⁻采取四配位构型，与两个等价的K⁺及两个Sb³⁺成键；在第三个O²⁻位点中，O²⁻采取畸变三角平面构型，与一个K⁺及两个Sb³⁺成键；在第四个O²⁻位点中，O²⁻采取畸变三角非共面构型，与一个K⁺及两个Sb³⁺成键；在第五个O²⁻位点中，O²⁻采取二配位构型，与一个K⁺及三个Sb³⁺成键。

搜集汇总

背景与挑战

背景概述

该数据集总结了KSb3O5材料的晶体结构数据，其结晶于单斜晶系P2_1/c空间群，具有三维结构。关键信息包括K1+离子以七配位几何键合，三个不等价Sb3+位点分别呈现扭曲矩形seesaw-like、矩形seesaw-like和三配位几何，以及五个不等价O2-位点的多样化配位模式，所有键合距离均在特定范围内。