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DOE OSTI2020

Materials Data on Ho2MgTl by Materials Project

MgHo2Tl is Heusler 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 Ho atoms. All Mg–Ho bond lengths are 3.26 Å. Ho is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Ho–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.

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DOE OSTI2020

Materials Data on Sc2TlV by Materials Project

Sc2VTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2VTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one V and one Tl atom. The Sc–V bond length is 2.61 Å. The Sc–Tl bond length is 2.97 Å. V is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.

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DOE OSTI2020

Materials Data on Ca2TlSn by Materials Project

Ca2TlSn 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 four equivalent Tl and four equivalent Sn atoms. All Ca–Tl bond lengths are 3.36 Å. All Ca–Sn bond lengths are 3.36 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

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DOE OSTI2020

Materials Data on Tb2TlHg by Materials Project

Tb2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Tb–Hg bond lengths are 3.27 Å. All Tb–Tl bond lengths are 3.27 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

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DOE OSTI2020

Materials Data on EuTlAu2 by Materials Project

EuAu2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Eu–Au bond lengths are 3.21 Å. Au is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Tl atoms. All Au–Tl bond lengths are 3.21 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

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DOE OSTI2020

Materials Data on NbTlO14 by Materials Project

NbO12TlO2 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight NbO12 clusters and one TlO2 framework. In each NbO12 cluster, Nb is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Nb–O bond lengths are 2.21 Å. O is bonded in a 1-coordinate geometry to one Nb and two equivalent O atoms. Both O–O bond lengths are 1.82 Å. In the TlO2 framework, Tl is bonded to four equivalent O atoms to form corner-sharing TlO4 tetrahedra. All Tl–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Tl atoms.

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DOE OSTI2020

Materials Data on ErTlRh2 by Materials Project

ErRh2Tl 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 Rh atoms. All Er–Rh bond lengths are 2.89 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Tl atoms. All Rh–Tl bond lengths are 2.89 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.

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DOE OSTI2020

Materials Data on Tl2Cu2SnTe4 by Materials Project

Cu2Tl2SnTe4 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with two equivalent CuTe4 tetrahedra, corners with two equivalent SnTe4 tetrahedra, an edgeedge with one CuTe4 tetrahedra, and an edgeedge with one SnTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.61–2.70 Å. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight Te2- atoms. Both Tl–Tl bond lengths are 3.60 Å. There are a spread of Tl–Te bond distances ranging from 3.59–3.67 Å. Sn4+ is bonded to four Te2- atoms to form SnTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and edges with two equivalent CuTe4 tetrahedra. There are two shorter (2.83 Å) and two longer (2.84 Å) Sn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cu1+, four equivalent Tl1+, and one Sn4+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to two equivalent Cu1+, four equivalent Tl1+, and one Sn4+ atom.

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DOE OSTI2020

Materials Data on Eu2MgTl by Materials Project

MgEu2Tl is Heusler 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 Eu atoms. All Mg–Eu bond lengths are 3.46 Å. Eu is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Eu–Tl bond lengths are 3.46 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.

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DOE OSTI2020

Materials Data on Sc2TlHg by Materials Project

Sc2HgTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2HgTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Hg and one Tl atom. The Sc–Hg bond length is 2.93 Å. The Sc–Tl bond length is 2.92 Å. Hg is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.

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DOE OSTI2020

Materials Data on NaMg2Tl by Materials Project

NaMg2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaMg2Tl ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Mg atoms. Both Na–Mg bond lengths are 3.12 Å. Mg is bonded in a linear geometry to one Na and one Tl atom. The Mg–Tl bond length is 3.00 Å. Tl is bonded in a linear geometry to two equivalent Mg atoms.

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DOE OSTI2020

Materials Data on TlHg2Bi by Materials Project

Hg2TlBi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hg2TlBi ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to one Tl and one Bi atom. The Hg–Tl bond length is 3.01 Å. The Hg–Bi bond length is 2.88 Å. Tl is bonded in a linear geometry to two equivalent Hg atoms. Bi is bonded in a linear geometry to two equivalent Hg atoms.

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DOE OSTI2020

Materials Data on Ba2TlIn by Materials Project

Ba2TlIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2TlIn ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to one Tl and one In atom. The Ba–Tl bond length is 3.20 Å. The Ba–In bond length is 3.19 Å. Tl is bonded in a linear geometry to two equivalent Ba atoms. In is bonded in a linear geometry to two equivalent Ba atoms.

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DOE OSTI2020

Materials Data on Li2TlZn by Materials Project

Li2ZnTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2ZnTl ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to one Zn and one Tl atom. The Li–Zn bond length is 2.80 Å. The Li–Tl bond length is 2.86 Å. Zn is bonded in a linear geometry to two equivalent Li atoms. Tl is bonded in a linear geometry to two equivalent Li atoms.

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DOE OSTI2020

Materials Data on Mg2TlHg by Materials Project

Mg2HgTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2HgTl ribbons oriented in the (0, 1, 0) direction. Mg is bonded in a linear geometry to one Hg and one Tl atom. The Mg–Hg bond length is 3.14 Å. The Mg–Tl bond length is 3.28 Å. Hg is bonded in a linear geometry to two equivalent Mg atoms. Tl is bonded in a linear geometry to two equivalent Mg atoms.

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DOE OSTI2020

Materials Data on LiTlHg2 by Materials Project

LiHg2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiHg2Tl ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Hg atoms. Both Li–Hg bond lengths are 2.71 Å. Hg is bonded in a linear geometry to one Li and one Tl atom. The Hg–Tl bond length is 3.13 Å. Tl is bonded in a linear geometry to two equivalent Hg atoms.

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DOE OSTI2020

Materials Data on Ac2TlIn by Materials Project

Ac2TlIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Tl and four equivalent In atoms. All Ac–Tl bond lengths are 3.58 Å. All Ac–In bond lengths are 3.58 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.

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DOE OSTI2020

Materials Data on LiTlAg2 by Materials Project

LiAg2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAg2Tl ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ag atoms. Both Li–Ag bond lengths are 2.62 Å. Ag is bonded in a linear geometry to one Li and one Tl atom. The Ag–Tl bond length is 2.89 Å. Tl is bonded in a linear geometry to two equivalent Ag atoms.

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