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MgBr4(Br)2 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules and two MgBr4 clusters. In each MgBr4 cluster, Mg is bonded in a distorted rectangular see-saw-like geometry to four equivalent Br atoms. All Mg–Br bond lengths are 2.51 Å. Br is bonded in a single-bond geometry to one Mg atom.
Li2MgBr4 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with two equivalent LiBr6 octahedra, corners with four equivalent MgBr6 octahedra, edges with two equivalent MgBr6 octahedra, and edges with six LiBr6 octahedra. The corner-sharing octahedra tilt angles range from 2–10°. There are two shorter (2.15 Å) and four longer (2.17 Å) Li–Br bond lengths. In the second Li1+ site, Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with two equivalent LiBr6 octahedra, edges with four equivalent MgBr6 octahedra, and edges with six LiBr6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.11 Å) and four longer (2.26 Å) Li–Br bond lengths. Mg2+ is bonded to six Br1- atoms to form MgBr6 octahedra that share corners with four equivalent LiBr6 octahedra, edges with two equivalent MgBr6 octahedra, and edges with six LiBr6 octahedra. The corner-sharing octahedra tilt angles range from 2–10°. There are four shorter (2.29 Å) and two longer (2.31 Å) Mg–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to two Li1+ and two equivalent Mg2+ atoms. In the second Br1- site, Br1- is bonded to four Li1+ and one Mg2+ atom to form a mixture of edge and corner-sharing BrLi4Mg square pyramids.
Li2MgBr4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six equivalent MgBr6 octahedra, edges with two equivalent MgBr6 octahedra, and edges with six LiBr6 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. There are two shorter (2.70 Å) and four longer (2.86 Å) Li–Br bond lengths. In the second Li1+ site, Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share edges with four equivalent MgBr6 octahedra and edges with six LiBr6 octahedra. There are two shorter (2.70 Å) and four longer (2.73 Å) Li–Br bond lengths. Mg2+ is bonded to six Br1- atoms to form MgBr6 octahedra that share corners with six equivalent LiBr6 octahedra, edges with two equivalent MgBr6 octahedra, and edges with six LiBr6 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. There are two shorter (2.62 Å) and four longer (2.77 Å) Mg–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Mg2+ atom. In the second Br1- site, Br1- is bonded to three Li1+ and two equivalent Mg2+ atoms to form a mixture of edge and corner-sharing BrLi3Mg2 square pyramids.
CsMgBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent MgBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent MgBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.91 Å) and six longer (4.08 Å) Cs–Br bond lengths. Mg2+ is bonded to six equivalent Br1- atoms to form MgBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent MgBr6 octahedra. All Mg–Br bond lengths are 2.70 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Mg2+ atoms.
Li2MgBr4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six equivalent LiBr6 octahedra, edges with four equivalent LiBr6 octahedra, and edges with four equivalent MgBr6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (2.77 Å) and two longer (2.79 Å) Li–Br bond lengths. Mg2+ is bonded to six Br1- atoms to form MgBr6 octahedra that share edges with two equivalent MgBr6 octahedra and edges with eight equivalent LiBr6 octahedra. There are two shorter (2.69 Å) and four longer (2.70 Å) Mg–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Li1+ and one Mg2+ atom to form a mixture of corner and edge-sharing BrLi4Mg square pyramids. In the second Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Mg2+ atoms.
Li6MgBr8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six equivalent LiBr6 octahedra, edges with two equivalent MgBr6 octahedra, and edges with eight equivalent LiBr6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. All Li–Br bond lengths are 2.77 Å. Mg2+ is bonded to six equivalent Br1- atoms to form MgBr6 octahedra that share edges with twelve equivalent LiBr6 octahedra. All Mg–Br bond lengths are 2.69 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to six equivalent Li1+ atoms to form BrLi6 octahedra that share corners with six equivalent BrLi6 octahedra and edges with twelve equivalent BrLi4Mg square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second Br1- site, Br1- is bonded to four equivalent Li1+ and one Mg2+ atom to form BrLi4Mg square pyramids that share corners with nine equivalent BrLi4Mg square pyramids, edges with four equivalent BrLi6 octahedra, and edges with four equivalent BrLi4Mg square pyramids.
MgInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MgInBr3 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six Br1- atoms to form edge-sharing MgBr6 octahedra. There are a spread of Mg–Br bond distances ranging from 2.63–2.76 Å. In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are two shorter (3.21 Å) and one longer (3.41 Å) In–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mg2+ and one In1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mg2+ and two equivalent In1+ atoms.
MgBr2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one MgBr2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent Br1- atoms to form edge-sharing MgBr6 octahedra. All Mg–Br bond lengths are 2.70 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Mg2+ atoms.