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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3N2 by Materials Project

Sr3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Sr2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.63–2.68 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. In the second N3- site, N3- is bonded to six equivalent Sr2+ atoms to form a mixture of corner and edge-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 53°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3N2 by Materials Project

Sr3N2 is High-temperature superconductor-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Sr3N framework. In the Sr3N framework, Sr2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Sr–N bond lengths are 2.49 Å. N3- is bonded to six equivalent Sr2+ atoms to form corner-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗