Materials Data on Na4GeO4 by Materials Project

Na4GeO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, corners with two equivalent NaO4 tetrahedra, corners with three equivalent GeO4 tetrahedra, edges with five NaO5 square pyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.51 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, a cornercorner with one GeO4 tetrahedra, corners with two equivalent NaO4 tetrahedra, edges with five NaO5 square pyramids, and edges with two equivalent GeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.53 Å. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.40 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent GeO4 tetrahedra, and edges with two equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.36 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent NaO4 tetrahedra, and edges with three NaO5 square pyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONa5Ge octahedra. The corner-sharing octahedra tilt angles range from 12–27°. In the second O2- site, O2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of corner and edge-sharing ONa5Ge octahedra. The corner-sharing octahedra tilt angles range from 12–27°. In the third O2- site, O2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONa5Ge octahedra. The corner-sharing octahedra tilt angles range from 13–15°. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Ge4+ atom.

Na₄GeO₄ 结晶于三斜晶系P-1空间群，其结构为三维骨架。体系中存在4个不等价的Na⁺（Na1+）位点。在第一个Na⁺位点中，Na⁺与5个O²⁻（O2-）原子成键，形成NaO₅四方锥（square pyramids）；该四方锥分别与3个等价的NaO₅四方锥、2个等价的NaO₄四面体（tetrahedra）、3个等价的GeO₄四面体共角，与5个NaO₅四方锥共边，同时与1个GeO₄四面体共边。Na-O键的键长分布范围为2.39~2.51 Å。在第二个Na⁺位点中，Na⁺与5个O²⁻原子成键，形成NaO₅四方锥；该四方锥与3个等价的NaO₅四方锥共角，与1个GeO₄四面体共双角，与2个等价的NaO₄四面体共角，与5个NaO₅四方锥共边，同时与2个等价的GeO₄四面体共边。Na-O键的键长分布范围为2.39~2.53 Å。在第三个Na⁺位点中，Na⁺采取变形矩形跷跷板型配位几何（distorted rectangular see-saw-like geometry），与4个O²⁻原子成键。Na-O键的键长分布范围为2.35~2.40 Å。在第四个Na⁺位点中，Na⁺与4个O²⁻原子成键，形成变形的NaO₄四面体；该四面体与4个NaO₅四方锥共角，与4个等价的GeO₄四面体共角，同时与2个等价的NaO₄四面体共边。Na-O键的键长分布范围为2.31~2.36 Å。Ge⁴⁺（Ge4+）与4个O²⁻原子成键，形成GeO₄四面体；该四面体与4个NaO₅四方锥共角，与4个等价的NaO₄四面体共角，同时与3个NaO₅四方锥共边。Ge-O键的键长分布范围为1.77~1.81 Å。体系中存在4个不等价的O²⁻（O2-）位点。在第一个O²⁻位点中，O²⁻与5个Na⁺和1个Ge⁴⁺原子成键，形成兼具变形共角与共边特征的ONa₅Ge八面体（octahedra）；共角八面体的倾斜角分布范围为12°~27°。在第二个O²⁻位点中，O²⁻与5个Na⁺和1个Ge⁴⁺原子成键，形成兼具共角与共边特征的ONa₅Ge八面体；共角八面体的倾斜角分布范围为12°~27°。在第三个O²⁻位点中，O²⁻与5个Na⁺和1个Ge⁴⁺原子成键，形成兼具变形共角与共边特征的ONa₅Ge八面体；共角八面体的倾斜角分布范围为13°~15°。在第四个O²⁻位点中，O²⁻采取变形矩形跷跷板型配位几何，与3个Na⁺和1个Ge⁴⁺原子成键。