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MgTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Mg–Tl bond lengths are 3.20 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Mg2Tl is zeta silver zinc structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Tl atoms to form a mixture of distorted edge and corner-sharing MgTl4 tetrahedra. There are two shorter (2.99 Å) and two longer (3.00 Å) Mg–Tl bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Tl atoms. There are one shorter (3.11 Å) and four longer (3.19 Å) Mg–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to nine Mg atoms.
Mg5Tl2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four equivalent Tl atoms. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Tl bond distances ranging from 2.99–3.22 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to one Mg and four equivalent Tl atoms. The Mg–Mg bond length is 3.37 Å. There are two shorter (2.99 Å) and two longer (3.12 Å) Mg–Tl bond lengths. In the third Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form a mixture of distorted corner and face-sharing MgMg8Tl4 cuboctahedra. Both Mg–Mg bond lengths are 3.12 Å. All Mg–Tl bond lengths are 3.08 Å. Tl is bonded in a distorted q6 geometry to ten Mg atoms.
Mg3Tl is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Tl atoms to form MgMg8Tl4 cuboctahedra that share corners with four equivalent TlMg12 cuboctahedra, corners with fourteen MgMg8Tl4 cuboctahedra, edges with six equivalent TlMg12 cuboctahedra, edges with twelve equivalent MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with sixteen MgMg8Tl4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.24 Å. There are two shorter (3.20 Å) and two longer (3.23 Å) Mg–Tl bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form MgMg8Tl4 cuboctahedra that share corners with four equivalent TlMg12 cuboctahedra, corners with fourteen MgMg8Tl4 cuboctahedra, edges with six equivalent TlMg12 cuboctahedra, edges with twelve MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with sixteen MgMg8Tl4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.17–3.24 Å. There are two shorter (3.21 Å) and two longer (3.23 Å) Mg–Tl bond lengths. Tl is bonded to twelve Mg atoms to form TlMg12 cuboctahedra that share corners with six equivalent TlMg12 cuboctahedra, corners with twelve MgMg8Tl4 cuboctahedra, edges with eighteen MgMg8Tl4 cuboctahedra, faces with eight equivalent TlMg12 cuboctahedra, and faces with twelve MgMg8Tl4 cuboctahedra.
MgTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Tl atoms to form MgTl12 cuboctahedra that share corners with six equivalent MgTl12 cuboctahedra, corners with twelve equivalent TlMg4Tl8 cuboctahedra, edges with eighteen equivalent TlMg4Tl8 cuboctahedra, faces with eight equivalent MgTl12 cuboctahedra, and faces with twelve equivalent TlMg4Tl8 cuboctahedra. There are six shorter (3.43 Å) and six longer (3.44 Å) Mg–Tl bond lengths. Tl is bonded to four equivalent Mg and eight equivalent Tl atoms to form distorted TlMg4Tl8 cuboctahedra that share corners with four equivalent MgTl12 cuboctahedra, corners with fourteen equivalent TlMg4Tl8 cuboctahedra, edges with six equivalent MgTl12 cuboctahedra, edges with twelve equivalent TlMg4Tl8 cuboctahedra, faces with four equivalent MgTl12 cuboctahedra, and faces with sixteen equivalent TlMg4Tl8 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.40–3.48 Å.
MgTl3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Mg–Tl bond lengths are 3.34 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Tl–Tl bond lengths are 3.34 Å. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent Tl atoms.
Mg3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Tl atoms to form MgMg8Tl4 cuboctahedra that share corners with twelve equivalent MgMg8Tl4 cuboctahedra, edges with eight equivalent TlMg12 cuboctahedra, edges with sixteen equivalent MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Tl4 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. All Mg–Tl bond lengths are 3.20 Å. Tl is bonded to twelve equivalent Mg atoms to form TlMg12 cuboctahedra that share corners with twelve equivalent TlMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Tl4 cuboctahedra, faces with six equivalent TlMg12 cuboctahedra, and faces with twelve equivalent MgMg8Tl4 cuboctahedra.
MgTl3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Tl atoms to form MgTl12 cuboctahedra that share corners with four equivalent MgTl12 cuboctahedra, corners with eight equivalent TlMg4Tl8 cuboctahedra, edges with eight equivalent MgTl12 cuboctahedra, edges with sixteen equivalent TlMg4Tl8 cuboctahedra, faces with four equivalent MgTl12 cuboctahedra, and faces with fourteen TlMg4Tl8 cuboctahedra. There are four shorter (3.37 Å) and eight longer (3.47 Å) Mg–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Mg and eight equivalent Tl atoms to form distorted TlMg4Tl8 cuboctahedra that share corners with four equivalent TlMg4Tl8 cuboctahedra, corners with eight equivalent MgTl12 cuboctahedra, edges with twenty-four TlMg4Tl8 cuboctahedra, faces with six equivalent MgTl12 cuboctahedra, and faces with twelve TlMg4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.47 Å. In the second Tl site, Tl is bonded to four equivalent Mg and eight Tl atoms to form TlMg4Tl8 cuboctahedra that share corners with twelve equivalent TlMg4Tl8 cuboctahedra, edges with eight equivalent MgTl12 cuboctahedra, edges with sixteen TlMg4Tl8 cuboctahedra, faces with four equivalent MgTl12 cuboctahedra, and faces with fourteen TlMg4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.37 Å.
Mg3Tl is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Tl atoms to form distorted MgMg8Tl4 cuboctahedra that share corners with four equivalent MgMg8Tl4 cuboctahedra, corners with eight equivalent TlMg12 cuboctahedra, edges with twenty-four MgMg8Tl4 cuboctahedra, faces with six equivalent TlMg12 cuboctahedra, and faces with twelve MgMg8Tl4 cuboctahedra. All Mg–Mg bond lengths are 3.22 Å. All Mg–Tl bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form MgMg8Tl4 cuboctahedra that share corners with twelve equivalent MgMg8Tl4 cuboctahedra, edges with eight equivalent TlMg12 cuboctahedra, edges with sixteen MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with fourteen MgMg8Tl4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–Tl bond lengths are 3.22 Å. Tl is bonded to twelve Mg atoms to form TlMg12 cuboctahedra that share corners with four equivalent TlMg12 cuboctahedra, corners with eight equivalent MgMg8Tl4 cuboctahedra, edges with eight equivalent TlMg12 cuboctahedra, edges with sixteen equivalent MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with fourteen MgMg8Tl4 cuboctahedra.