Materials Data on Na2N2O3 by Materials Project

Na2N2O3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.68 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.95 Å. In the third Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.46 Å. There are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. In the second N2+ site, N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. In the third N2+ site, N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. In the fourth N2+ site, N2+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one N2+ atom. In the second O2- site, O2- is bonded to three Na1+ and one N2+ atom to form distorted corner-sharing ONa3N tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to four Na1+ and one N2+ atom. In the fourth O2- site, O2- is bonded to three Na1+ and one N2+ atom to form distorted corner-sharing ONa3N tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one N2+ atom.

Na₂N₂O₃结晶于单斜晶系C2空间群，其晶体结构为三维框架。存在三个不等价的Na¹⁺位点：在第一个Na¹⁺位点中，Na¹⁺采取畸变跷跷板型配位几何，与四个O²⁻原子配位，Na–O键长分布范围为2.45~2.68 Å；在第二个Na¹⁺位点中，Na¹⁺采取六配位几何，与六个O²⁻原子配位，Na–O键长分布范围为2.45~2.95 Å；在第三个Na¹⁺位点中，Na¹⁺采取畸变跷跷板型配位几何，与四个O²⁻原子配位，Na–O键长分布范围为2.39~2.46 Å。存在四个不等价的N²⁺位点：在第一个N²⁺位点中，N²⁺采取120°角弯曲配位几何，与两个O²⁻原子配位，两条N–O键长均为1.27 Å；在第二个N²⁺位点中，N²⁺采取单键配位几何，与一个O²⁻原子配位，N–O键长为1.27 Å；在第三个N²⁺位点中，N²⁺采取单键配位几何，与一个O²⁻原子配位，N–O键长为1.27 Å；在第四个N²⁺位点中，N²⁺采取120°角弯曲配位几何，与两个等价的O²⁻原子配位，两条N–O键长均为1.27 Å。存在五个不等价的O²⁻位点：在第一个O²⁻位点中，O²⁻采取四配位几何，与三个Na¹⁺和一个N²⁺原子配位；在第二个O²⁻位点中，O²⁻与三个Na¹⁺和一个N²⁺原子结合，形成畸变共顶点ONa₃N四面体结构；在第三个O²⁻位点中，O²⁻采取畸变平面三角配位几何，与四个Na¹⁺和一个N²⁺原子配位；在第四个O²⁻位点中，O²⁻与三个Na¹⁺和一个N²⁺原子结合，形成畸变共顶点ONa₃N四面体结构；在第五个O²⁻位点中，O²⁻采取1配位几何，与三个Na¹⁺和一个N²⁺原子结合。