Materials Data on Sr2C2N3 by Materials Project
Sr4(CN2)3C crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four methane molecules and one Sr4(CN2)3 framework. In the Sr4(CN2)3 framework, there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. All Sr–N bond lengths are 2.59 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. All Sr–N bond lengths are 2.63 Å. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Sr–N bond lengths are 2.63 Å. There are two inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. In the second C+2.50+ site, C+2.50+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three Sr2+ and one C+2.50+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra. In the second N3- site, N3- is bonded to three Sr2+ and one C+2.50+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra.