Materials Data on TlHCO2 by Materials Project

TlCHO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Tl1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.66–2.86 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.

TlCHO₂结晶于正交晶系（orthorhombic）Pna2₁空间群。该晶体为三维结构。Tl⁺（Tl1+）以畸变矩形跷跷板状配位几何与4个O²⁻（O2-）配位，Tl–O键长分布范围为2.66~2.86 埃。C²⁺（C2+）以平面三角形配位几何与1个H⁺（H1+）及2个O²⁻成键，C–H键长为1.11 埃，两个C–O键长均为1.27 埃。H⁺（H1+）以单键配位几何仅与1个C²⁺成键。该晶体存在2个不等价的O²⁻位点：在第一个O²⁻位点中，O²⁻以畸变单键配位几何与2个等效的Tl⁺及1个C²⁺成键；在第二个O²⁻位点中，O²⁻同样以畸变单键配位几何与2个等效的Tl⁺及1个C²⁺成键。