Materials Data on Na2GeN2 by Materials Project

Abstract

Na2GeN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are eight inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.32–2.72 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.36–2.83 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–2.69 Å. In the fourth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.41–2.65 Å. In the fifth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.50–2.64 Å. In the sixth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.25–2.52 Å. In the seventh Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.47–2.53 Å. In the eighth Na1+ site, Na1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.39–2.98 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.90–1.97 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There is three shorter (1.91 Å) and one longer (1.92 Å) Ge–N bond length. In the third Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.89–1.94 Å. In the fourth Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.90–1.95 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the third N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the fifth N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two Ge4+ atoms. In the sixth N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms. In the seventh N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms. In the eighth N3- site, N3- is bonded in a 7-coordinate geometry to five Na1+ and two Ge4+ atoms.