Materials Data on Sr2AuN by Materials Project

Abstract

Sr2AuN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to one Au1- and four equivalent N3- atoms. The Sr–Au bond length is 3.35 Å. There are two shorter (2.60 Å) and two longer (2.68 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded in a distorted L-shaped geometry to six equivalent Au1- and two equivalent N3- atoms. There are two shorter (3.30 Å) and four longer (3.47 Å) Sr–Au bond lengths. Both Sr–N bond lengths are 2.59 Å. Au1- is bonded in a 9-coordinate geometry to seven Sr2+ and two equivalent Au1- atoms. Both Au–Au bond lengths are 3.06 Å. N3- is bonded to six Sr2+ atoms to form a mixture of corner and edge-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 18°.