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NaYTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaYTl2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Tl atoms. Both Na–Tl bond lengths are 3.14 Å. Y is bonded in a linear geometry to two equivalent Tl atoms. Both Y–Tl bond lengths are 3.11 Å. Tl is bonded in a linear geometry to one Na and one Y atom.
CaAcTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ca–Tl bond lengths are 3.51 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ac–Tl bond lengths are 3.51 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Ac atoms.
Li2CdTl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Tl atoms to form distorted corner-sharing LiTl4 tetrahedra. All Li–Tl bond lengths are 2.99 Å. In the second Li site, Li is bonded to four equivalent Cd atoms to form distorted corner-sharing LiCd4 tetrahedra. All Li–Cd bond lengths are 2.99 Å. Cd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Cd–Tl bond lengths are 2.99 Å. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms.
LiGdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 3.19 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Gd–Tl bond lengths are 3.19 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Gd atoms.
ScHfTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScHfTl2 ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Tl atoms. Both Sc–Tl bond lengths are 2.88 Å. Hf is bonded in a linear geometry to two equivalent Tl atoms. Both Hf–Tl bond lengths are 2.83 Å. Tl is bonded in a linear geometry to one Sc and one Hf atom.
HoLaTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.37 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.37 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent La atoms.
La3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Tl atoms to form distorted LaLa8Tl4 cuboctahedra that share corners with twelve equivalent LaLa8Tl4 cuboctahedra, edges with eight equivalent LaLa8Tl4 cuboctahedra, edges with eight equivalent TlLa12 cuboctahedra, faces with four equivalent TlLa12 cuboctahedra, and faces with ten equivalent LaLa8Tl4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.63 Å) La–La bond lengths. All La–Tl bond lengths are 3.63 Å. In the second La site, La is bonded in a distorted square co-planar geometry to eight equivalent La and four equivalent Tl atoms. All La–Tl bond lengths are 3.52 Å. Tl is bonded to twelve La atoms to form TlLa12 cuboctahedra that share corners with four equivalent TlLa12 cuboctahedra, edges with eight equivalent TlLa12 cuboctahedra, edges with sixteen equivalent LaLa8Tl4 cuboctahedra, faces with four equivalent TlLa12 cuboctahedra, and faces with eight equivalent LaLa8Tl4 cuboctahedra.
CsTlBr3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs is bonded to twelve Br atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent TlBr6 octahedra. There are a spread of Cs–Br bond distances ranging from 4.09–4.21 Å. Tl is bonded to six Br atoms to form TlBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are three shorter (2.93 Å) and three longer (2.94 Å) Tl–Br bond lengths. There are three inequivalent Br sites. In the first Br site, Br is bonded to four equivalent Cs and two equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing BrCs4Tl2 octahedra. The corner-sharing octahedra tilt angles range from 1–62°. In the second Br site, Br is bonded to four equivalent Cs and two equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing BrCs4Tl2 octahedra. The corner-sharing octahedra tilt angles range from 2–62°. In the third Br site, Br is bonded to four equivalent Cs and two equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing BrCs4Tl2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°.
LaScTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaScTl2 ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to two equivalent Tl atoms. Both La–Tl bond lengths are 3.06 Å. Sc is bonded in a linear geometry to two equivalent Tl atoms. Both Sc–Tl bond lengths are 2.89 Å. Tl is bonded in a linear geometry to one La and one Sc atom.
K3Tl is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Tl atoms to form distorted KK8Tl4 cuboctahedra that share corners with twelve equivalent KK8Tl4 cuboctahedra, edges with eight equivalent TlK12 cuboctahedra, edges with sixteen KK8Tl4 cuboctahedra, faces with four equivalent TlK12 cuboctahedra, and faces with fourteen KK8Tl4 cuboctahedra. There are four shorter (4.15 Å) and four longer (4.18 Å) K–K bond lengths. All K–Tl bond lengths are 4.15 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Tl atoms to form distorted KK8Tl4 cuboctahedra that share corners with four equivalent KK8Tl4 cuboctahedra, corners with eight equivalent TlK12 cuboctahedra, edges with twenty-four KK8Tl4 cuboctahedra, faces with six equivalent TlK12 cuboctahedra, and faces with twelve KK8Tl4 cuboctahedra. All K–Tl bond lengths are 4.18 Å. Tl is bonded to twelve K atoms to form TlK12 cuboctahedra that share corners with four equivalent TlK12 cuboctahedra, corners with eight equivalent KK8Tl4 cuboctahedra, edges with eight equivalent TlK12 cuboctahedra, edges with sixteen equivalent KK8Tl4 cuboctahedra, faces with four equivalent TlK12 cuboctahedra, and faces with fourteen KK8Tl4 cuboctahedra.
Pr6Fe13Tl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two equivalent Tl atoms. There are a spread of Pr–Fe bond distances ranging from 2.99–3.33 Å. Both Pr–Tl bond lengths are 3.40 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to twelve Fe and one Tl atom. There are a spread of Pr–Fe bond distances ranging from 3.04–3.27 Å. The Pr–Tl bond length is 3.47 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.74 Å. In the second Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted face and corner-sharing FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.54–2.65 Å. In the third Fe site, Fe is bonded to twelve Fe atoms to form a mixture of face and corner-sharing FeFe12 cuboctahedra. All Fe–Fe bond lengths are 2.41 Å. In the fourth Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form a mixture of face and corner-sharing FePr2Fe10 cuboctahedra. There are two shorter (2.51 Å) and one longer (2.55 Å) Fe–Fe bond lengths. Tl is bonded in a distorted q6 geometry to ten Pr atoms.
BaMgTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaMgTl2 ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to two equivalent Tl atoms. Both Ba–Tl bond lengths are 3.13 Å. Mg is bonded in a linear geometry to two equivalent Tl atoms. Both Mg–Tl bond lengths are 2.74 Å. Tl is bonded in a linear geometry to one Ba and one Mg atom.
Ho5Tl3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Tl atoms. All Ho–Tl bond lengths are 3.21 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to five equivalent Tl atoms. There are a spread of Ho–Tl bond distances ranging from 3.14–3.68 Å. Tl is bonded in a 9-coordinate geometry to nine Ho atoms.
NaSrTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaSrTl2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Tl atoms. Both Na–Tl bond lengths are 3.13 Å. Sr is bonded in a linear geometry to two equivalent Tl atoms. Both Sr–Tl bond lengths are 3.30 Å. Tl is bonded in a linear geometry to one Na and one Sr atom.
(Tl)3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four boron molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four equivalent Tl1+ atoms. All Tl–Tl bond lengths are 3.23 Å. In the second Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms.
HgTl2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HgTl2Pb ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to two equivalent Tl atoms. Both Hg–Tl bond lengths are 3.06 Å. Tl is bonded in a linear geometry to one Hg and one Pb atom. The Tl–Pb bond length is 2.88 Å. Pb is bonded in a linear geometry to two equivalent Tl atoms.
GdLaTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Gd–Tl bond lengths are 3.40 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.40 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent La atoms.
SrPtTl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 3-coordinate geometry to three equivalent Pt and ten equivalent Tl atoms. There are one shorter (3.22 Å) and two longer (3.25 Å) Sr–Pt bond lengths. There are a spread of Sr–Tl bond distances ranging from 3.51–3.69 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent Tl atoms. There are four shorter (2.93 Å) and two longer (2.99 Å) Pt–Tl bond lengths. Tl is bonded in a 3-coordinate geometry to five equivalent Sr and three equivalent Pt atoms.