Materials Data on RbAs4(HO4)3 by Materials Project

Rb(AsO3)2(HAsO2)2HO2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two arsonous acid molecules, one water water molecule, and one Rb(AsO3)2 cluster. In the Rb(AsO3)2 cluster, Rb1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.33 Å) and one longer (2.36 Å) Rb–O bond lengths. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.34–1.93 Å. In the second As5+ site, As5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.43–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Rb1+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one As5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one As5+ atom.

Rb(AsO₃)₂(HAsO₂)₂HO₂晶体属于三斜晶系（triclinic）P1空间群（space group）。其结构为零维（zero-dimensional），包含两个亚砷酸（arsonous acid）分子、一个水分子以及一个Rb(AsO₃)₂团簇（cluster）。在该Rb(AsO₃)₂团簇中，+1价铷离子（Rb¹⁺）以畸变直线型配位构型与两个-2价氧离子（O²⁻）成键，对应Rb-O键长（bond length）分别为较短的2.33 Å与较长的2.36 Å。体系中存在两个不等价的五价砷（As⁵⁺）位点：在第一个As⁵⁺位点中，五价砷以三配位构型与三个O²⁻成键，对应的As-O键长分布范围为1.34~1.93 Å；在第二个As⁵⁺位点中，五价砷以二配位构型与三个O²⁻成键，该位点的As-O键长分布范围为1.43~2.02 Å。体系中存在六个不等价的O²⁻位点：在第一个O²⁻位点中，氧离子以畸变单键配位构型分别与一个Rb¹⁺和一个As⁵⁺成键；在第二个O²⁻位点中，氧离子以畸变L型配位构型分别与一个Rb¹⁺和一个As⁵⁺成键；在第三个O²⁻位点中，氧离子以单键配位构型仅与一个As⁵⁺成键；在第四个O²⁻位点中，氧离子以单键配位构型仅与一个As⁵⁺成键；在第五个O²⁻位点中，氧离子以畸变单键配位构型与一个As⁵⁺成键；在第六个O²⁻位点中，氧离子以单配位构型仅与一个As⁵⁺成键。