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At least 649 records · Page 36

Materials Data on CsTl(SO5)2 by Materials Project

CsTl(SO5)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.24–3.73 Å. Tl is bonded to six O atoms to form TlO6 octahedra that share corners with four equivalent SO4 tetrahedra. There are a spread of Tl–O bond distances ranging from 2.23–2.33 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent TlO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of S–O bond distances ranging from 1.47–1.53 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one Tl atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom. In the third O site, O is bonded in a 2-coordinate geometry to one Cs, one Tl, and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one Cs, one Tl, and one S atom.

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Materials Data on LiTl2Pd by Materials Project

LiPdTl2 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 2.97 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pd–Tl bond lengths are 2.97 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.

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Materials Data on PmDyTl2 by Materials Project

DyPmTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Dy–Tl bond lengths are 3.33 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pm–Tl bond lengths are 3.33 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.

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Materials Data on Tl2HgBi by Materials Project

HgTl2Bi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HgTl2Bi 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 2.98 Å. Tl is bonded in a linear geometry to one Hg and one Bi atom. The Tl–Bi bond length is 2.82 Å. Bi is bonded in a linear geometry to two equivalent Tl atoms.

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Materials Data on TlSn3 by Materials Project

TlSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tl is bonded to twelve Sn atoms to form a mixture of distorted corner and face-sharing TlSn12 cuboctahedra. There are six shorter (3.36 Å) and six longer (3.57 Å) Tl–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. There are two shorter (3.24 Å) and six longer (3.49 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. All Sn–Sn bond lengths are 3.49 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. Both Sn–Sn bond lengths are 3.49 Å.

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Materials Data on MgTl2(PO4)4 by Materials Project

MgTl2(PO4)4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgTl2(PO4)4 sheet oriented in the (1, 0, 1) direction. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four PO4 tetrahedra. There are four shorter (2.05 Å) and two longer (2.17 Å) Mg–O bond lengths. Tl is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Tl–O bond distances ranging from 2.58–2.70 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Tl and one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Tl and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two P atoms. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Tl and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one Mg atom.

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Materials Data on Tl5BrCl4 by Materials Project

Tl5BrCl4 is Heusler-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.40 Å) and four longer (3.41 Å) Tl–Cl bond lengths. In the second Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to two equivalent Br1- and six Cl1- atoms. Both Tl–Br bond lengths are 3.45 Å. There are two shorter (3.37 Å) and four longer (3.41 Å) Tl–Cl bond lengths. In the third Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to four equivalent Br1- and four equivalent Cl1- atoms. All Tl–Br bond lengths are 3.41 Å. All Tl–Cl bond lengths are 3.42 Å. Br1- is bonded in a body-centered cubic geometry to eight Tl1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a body-centered cubic geometry to eight Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a body-centered cubic geometry to eight Tl1+ atoms.

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Materials Data on NaLiTl2 by Materials Project

NaLiTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaLiTl2 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 3.25 Å. Li is bonded in a linear geometry to two equivalent Tl atoms. Both Li–Tl bond lengths are 2.93 Å. Tl is bonded in a linear geometry to one Na and one Li atom.

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Materials Data on LaSmTl2 by Materials Project

SmLaTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Sm–Tl bond lengths are 3.41 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.41 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent La atoms.

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Materials Data on NaTl2Sn by Materials Project

NaTl2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Na–Tl bond lengths are 3.37 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Sn atoms. All Tl–Sn bond lengths are 3.37 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Tl atoms.

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Materials Data on BaTl2Pb by Materials Project

BaTl2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaTl2Pb ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to two equivalent Tl atoms. Both Ba–Tl bond lengths are 4.16 Å. Tl is bonded in a linear geometry to one Ba and one Pb atom. The Tl–Pb bond length is 3.13 Å. Pb is bonded in a linear geometry to two equivalent Tl atoms.

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Materials Data on NaTl2Au by Materials Project

NaAuTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaAuTl2 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 3.09 Å. Au is bonded in a linear geometry to two equivalent Tl atoms. Both Au–Tl bond lengths are 2.71 Å. Tl is bonded in a linear geometry to one Na and one Au atom.

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Materials Data on LaErTl2 by Materials Project

ErLaTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Er–Tl bond lengths are 3.36 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.36 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent La atoms.

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Materials Data on Li3Tl2Cd by Materials Project

Li3CdTl2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All Li–Cd bond lengths are 2.96 Å. All Li–Tl bond lengths are 2.98 Å. In the second Li site, Li is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 2.97 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Tl is bonded in a body-centered cubic geometry to eight Li atoms.

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Materials Data on Tl2CdHg by Materials Project

HgCdTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HgCdTl2 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 3.12 Å. Cd is bonded in a linear geometry to two equivalent Tl atoms. Both Cd–Tl bond lengths are 3.09 Å. Tl is bonded in a linear geometry to one Hg and one Cd atom.

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Materials Data on LiLaTl2 by Materials Project

LiLaTl2 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 3.29 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.29 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent La atoms.

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Materials Data on BaNaTl2 by Materials Project

NaBaTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaBaTl2 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 3.07 Å. Ba is bonded in a linear geometry to two equivalent Tl atoms. Both Ba–Tl bond lengths are 3.24 Å. Tl is bonded in a linear geometry to one Na and one Ba atom.

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Materials Data on LaNdTl2 by Materials Project

NdLaTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Nd–Tl bond lengths are 3.42 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.42 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent La atoms.

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