Materials Data on CsAsF4 by Materials Project

CsAsF4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.10–3.71 Å. As3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.80–1.96 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one As3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one As3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one As3+ atom.

CsAsF₄ 晶体属于单斜晶系（monoclinic）P2₁空间群（space group），其结构为三维框架。铯离子以九配位构型（9-coordinate geometry）与11个氟离子成键，Cs-F键的键长分布于3.10~3.71埃之间。砷离子采用矩形跷跷板型配位几何（rectangular see-saw-like geometry）与4个氟离子成键，As-F键的键长分布于1.80~1.96埃之间。体系中存在4个不等价的氟离子位点：在第一个氟离子位点中，氟离子以四配位构型与3个等价的铯离子和1个砷离子成键；在第二个氟离子位点中，氟离子以单键配位构型与2个等价的铯离子和1个砷离子成键；在第三个氟离子位点中，氟离子以畸变单键配位构型与3个等价的铯离子和1个砷离子成键；在第四个氟离子位点中，氟离子以单键配位构型与3个等价的铯离子和1个砷离子成键。