Materials Data on Li2Te2O5 by Materials Project

Li2Te2O5 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.98–2.15 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There is one shorter (1.97 Å) and three longer (1.99 Å) Li–O bond length. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.31 Å. In the second Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te4+ atoms.

五氧化二碲二锂(Li₂Te₂O₅)结晶于正交晶系(orthorhombic) Pccn空间群，其结构为三维骨架结构。该体系存在两种不等价的锂离子(Li¹⁺)配位位点：在第一种Li¹⁺配位位点中，Li¹⁺与四个氧离子(O²⁻)成键，形成兼具共角与共边连接方式的LiO₄三角锥(trigonal pyramids)配位多面体，Li–O键长分布范围为1.98~2.15 Å；在第二种Li¹⁺配位位点中，Li¹⁺与四个O²⁻成键，形成兼具共角与共边连接方式的LiO₄四面体(tetrahedra)配位多面体，其Li–O键长包含1个1.97 Å的短键与3个1.99 Å的长键。该体系存在两种不等价的碲离子(Te⁴⁺)配位位点：在第一种Te⁴⁺配位位点中，Te⁴⁺以畸变跷跷板构型与四个O²⁻成键，Te–O键长分布范围为1.88~2.31 Å；在第二种Te⁴⁺配位位点中，Te⁴⁺以畸变矩形跷跷板构型与四个O²⁻成键，Te–O键长分布范围为1.88~2.44 Å。该体系存在五种不等价的氧离子(O²⁻)配位位点：在第一种O²⁻配位位点中，O²⁻以矩形跷跷板构型分别与三个Li¹⁺和一个Te⁴⁺成键；在第二种O²⁻配位位点中，O²⁻以畸变非共面三角构型分别与一个Li¹⁺和两个等价的Te⁴⁺成键；在第三种O²⁻配位位点中，O²⁻以畸变三角平面构型分别与一个Li¹⁺和两个等价的Te⁴⁺成键；在第四种O²⁻配位位点中，O²⁻以畸变矩形跷跷板构型分别与三个Li¹⁺和一个Te⁴⁺成键；在第五种O²⁻配位位点中，O²⁻以150°弯曲构型分别与两个Te⁴⁺成键。