Materials Data on Na2TiO3 by Materials Project

Na2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent NaO6 octahedra, edges with five equivalent TiO6 octahedra, and edges with seven equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. There are a spread of Na–O bond distances ranging from 2.18–2.53 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent NaO6 octahedra, edges with two equivalent TiO6 octahedra, and edges with ten equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are four shorter (2.00 Å) and two longer (2.13 Å) Ti–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Ti4+ atoms to form a mixture of edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–25°.

钛酸钠（Na₂TiO₃）具有类卡斯韦尔银矿（Caswellsilverite）结构，结晶于正交晶系（orthorhombic）的Immm空间群。该结构为三维框架结构。Na⁺与六个O²⁻配位，形成畸变的NaO₆八面体，该八面体与两个等价的TiO₆八面体共享顶点、与四个等价的NaO₆八面体共享顶点，与五个等价的TiO₆八面体共享棱边，同时与七个等价的NaO₆八面体共享棱边。共顶点八面体的倾斜角范围为0~25°。Na–O键的键长分布于2.18~2.53 Å之间。Ti⁴+与六个O²⁻配位，形成TiO₆八面体，该八面体与两个等价的TiO₆八面体共享顶点、与四个等价的NaO₆八面体共享顶点，与两个等价的TiO₆八面体共享棱边，同时与十个等价的NaO₆八面体共享棱边。共顶点八面体的倾斜角范围为0~12°。Ti–O键存在四组较短键长（2.00 Å）与两组较长键长（2.13 Å）。体系中存在两类不等价的O²⁻位点。在第一类O²⁻位点中，O²⁻与四个等价的Na⁺及两个等价的Ti⁴+配位，形成兼具边共享与顶点共享的ONa₄Ti₂八面体结构，其共顶点八面体的倾斜角范围为0~4°。在第二类O²⁻位点中，O²⁻与四个等价的Na⁺及两个等价的Ti⁴+配位，形成兼具畸变边共享与顶点共享的ONa₄Ti₂八面体结构，其共顶点八面体的倾斜角范围为0~25°。