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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3AsN by Materials Project

AsNSr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Sr3As framework. In the Sr3As framework, Sr2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Sr–As bond lengths are 2.90 Å. As3- is bonded to six equivalent Sr2+ atoms to form corner-sharing AsSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3AsN by Materials Project

AsNSr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Sr–As bond lengths are 3.62 Å. Both Sr–N bond lengths are 2.56 Å. As3- is bonded to twelve equivalent Sr2+ atoms to form AsSr12 cuboctahedra that share corners with twelve equivalent AsSr12 cuboctahedra, faces with six equivalent AsSr12 cuboctahedra, and faces with eight equivalent NSr6 octahedra. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent AsSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗