Ba3Sr3(SbN)2 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. Sr(1) is bonded in a linear geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with six equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with six equivalent N(1)Ba3Sr3 octahedra, faces with two equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(2)Ba6Sr6 cuboctahedra, and faces with six equivalent N(1)Ba3Sr3 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Sb site, Sb(2) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with twelve equivalent Sb(2)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(1)Ba6Sr6 cuboctahedra, and faces with eight equivalent N(1)Ba3Sr3 octahedra. N(1) is bonded to three equivalent Ba(1) and three equivalent Sr(1) atoms to form NBa3Sr3 octahedra that share corners with three equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with three equivalent N(1)Ba3Sr3 octahedra, faces with three equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with four equivalent Sb(2)Ba6Sr6 cuboctahedra, and  a faceface with one N(1)Ba3Sr3 octahedra. The corner-sharing octahedra are not tilted.
Ba3Sr3(SbN)2 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. Both Ba(1)-Sb(1) bond lengths are 3.90 Å. Both Ba(1)-Sb(2) bond lengths are 3.77 Å. Both Ba(1)-N(1) bond lengths are 2.73 Å. Sr(1) is bonded in a linear geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent N(1) atoms. Both Sr(1)-Sb(1) bond lengths are 3.77 Å. Both Sr(1)-Sb(2) bond lengths are 3.85 Å. Both Sr(1)-N(1) bond lengths are 2.61 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with six equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with six equivalent N(1)Ba3Sr3 octahedra, faces with two equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(2)Ba6Sr6 cuboctahedra, and faces with six equivalent N(1)Ba3Sr3 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Sb site, Sb(2) is bonded to six equivalent Ba(1) and six equivalent Sr(1) atoms to form SbBa6Sr6 cuboctahedra that share corners with twelve equivalent Sb(2)Ba6Sr6 cuboctahedra, faces with six equivalent Sb(1)Ba6Sr6 cuboctahedra, and faces with eight equivalent N(1)Ba3Sr3 octahedra. N(1) is bonded to three equivalent Ba(1) and three equivalent Sr(1) atoms to form NBa3Sr3 octahedra that share corners with three equivalent Sb(1)Ba6Sr6 cuboctahedra, corners with three equivalent N(1)Ba3Sr3 octahedra, faces with three equivalent Sb(1)Ba6Sr6 cuboctahedra, faces with four equivalent Sb(2)Ba6Sr6 cuboctahedra, and  a faceface with one N(1)Ba3Sr3 octahedra. The corner-sharing octahedra are not tilted.