Materials Data on Sr2GeN2 by Materials Project

Abstract

Sr2GeN2 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of corner and edge-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.57–2.77 Å. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. There are a spread of Sr–N bond distances ranging from 2.57–2.83 Å. Ge2+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.88 Å) and one longer (1.90 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Ge2+ atom to form a mixture of corner and edge-sharing NSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 9–61°. In the second N3- site, N3- is bonded to five Sr2+ and one Ge2+ atom to form a mixture of distorted corner and edge-sharing NSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 11–61°.