Materials Data on Na(WO3)2 by Materials Project

Na(WO3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded to twelve O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra and faces with eight WO6 octahedra. There are a spread of Na–O bond distances ranging from 2.71–2.82 Å. There are two inequivalent W+5.50+ sites. In the first W+5.50+ site, W+5.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with four equivalent NaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. There is three shorter (1.95 Å) and three longer (1.96 Å) W–O bond length. In the second W+5.50+ site, W+5.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with four equivalent NaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. There is three shorter (1.95 Å) and three longer (1.96 Å) W–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two W+5.50+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two W+5.50+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two W+5.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two W+5.50+ atoms. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two W+5.50+ atoms. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two W+5.50+ atoms.

Na(WO₃)₂晶体结晶于三斜晶系（triclinic）P1空间群，其结构为三维骨架结构。Na⁺与十二个O²⁻原子配位，形成NaO₁₂立方八面体（cuboctahedra）；该立方八面体可与十二个等价的NaO₁₂立方八面体共享顶角，并与八个WO₆八面体共享面。Na–O键的键长分布范围为2.71~2.82 Å。体系中存在两个不等价的W⁵·⁵⁺位点。在第一个W⁵·⁵⁺位点中，W⁵·⁵⁺与六个O²⁻原子配位，形成WO₆八面体（octahedra）；该八面体可与六个等价的WO₆八面体共享顶角，并与四个等价的NaO₁₂立方八面体共享面，顶角共享八面体的倾斜角范围为1~2°，其W–O键长包含三个较短的1.95 Å与三个较长的1.96 Å。在第二个W⁵·⁵⁺位点中，W⁵·⁵⁺同样与六个O²⁻原子配位，形成WO₆八面体；该八面体可与六个等价的WO₆八面体共享顶角，并与四个等价的NaO₁₂立方八面体共享面，顶角共享八面体的倾斜角范围为1~2°，其W–O键长同样包含三个较短的1.95 Å与三个较长的1.96 Å。体系中存在六个不等价的O²⁻位点。在第一个O²⁻位点中，O²⁻以畸变矩形跷跷板型配位几何构型（distorted rectangular see-saw-like geometry）与两个等价的Na⁺及两个W⁵·⁵⁺配位成键；其余五个不等价O²⁻位点的配位环境均与该位点完全一致，均以畸变矩形跷跷板型配位几何构型与两个等价的Na⁺及两个W⁵·⁵⁺配位成键。