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At least 379 records · Page 21
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DOE OSTI2020

Materials Data on TlCuIr by Materials Project

IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Tl atoms. All Ir–Cu bond lengths are 2.68 Å. All Ir–Tl bond lengths are 2.68 Å. Cu is bonded to four equivalent Ir and six equivalent Tl atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent TlCu6Ir4 tetrahedra, corners with six equivalent CuTl6Ir4 tetrahedra, edges with six equivalent TlCu6Ir4 tetrahedra, and faces with twelve equivalent CuTl6Ir4 tetrahedra. All Cu–Tl bond lengths are 3.10 Å. Tl is bonded to four equivalent Ir and six equivalent Cu atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent CuTl6Ir4 tetrahedra, corners with six equivalent TlCu6Ir4 tetrahedra, edges with six equivalent CuTl6Ir4 tetrahedra, and faces with twelve equivalent TlCu6Ir4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiTl2W by Materials Project

TiWTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to six equivalent W and eight equivalent Tl atoms. All Ti–W bond lengths are 3.40 Å. All Ti–Tl bond lengths are 2.94 Å. W is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Tl atoms. All W–Tl bond lengths are 2.94 Å. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent W atoms.

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DOE OSTI2020

Materials Data on ScTl2W by Materials Project

ScWTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to six equivalent W and eight equivalent Tl atoms. All Sc–W bond lengths are 3.47 Å. All Sc–Tl bond lengths are 3.00 Å. W is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Tl atoms. All W–Tl bond lengths are 3.00 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent W atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaTa2Tl by Materials Project

CaTa2Tl crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to ten Ta and four equivalent Tl atoms. There are four shorter (3.04 Å) and six longer (3.51 Å) Ca–Ta bond lengths. All Ca–Tl bond lengths are 3.04 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to six equivalent Ca, four equivalent Ta, and four equivalent Tl atoms. All Ta–Ta bond lengths are 3.04 Å. All Ta–Tl bond lengths are 3.04 Å. In the second Ta site, Ta is bonded to four equivalent Ca and four equivalent Ta atoms to form distorted edge-sharing TaCa4Ta4 tetrahedra. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlCoW by Materials Project

WCoTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. W is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Tl atoms. All W–Co bond lengths are 2.67 Å. All W–Tl bond lengths are 2.67 Å. Co is bonded to four equivalent W and six equivalent Tl atoms to form distorted CoTl6W4 tetrahedra that share corners with four equivalent TlCo6W4 tetrahedra, corners with six equivalent CoTl6W4 tetrahedra, edges with six equivalent TlCo6W4 tetrahedra, and faces with twelve equivalent CoTl6W4 tetrahedra. All Co–Tl bond lengths are 3.09 Å. Tl is bonded to four equivalent W and six equivalent Co atoms to form distorted TlCo6W4 tetrahedra that share corners with four equivalent CoTl6W4 tetrahedra, corners with six equivalent TlCo6W4 tetrahedra, edges with six equivalent CoTl6W4 tetrahedra, and faces with twelve equivalent TlCo6W4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlZn2Tc by Materials Project

TcZn2Tl crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc is bonded in a distorted body-centered cubic geometry to ten Zn and four equivalent Tl atoms. There are four shorter (2.81 Å) and six longer (3.24 Å) Tc–Zn bond lengths. All Tc–Tl bond lengths are 2.81 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Tc, four equivalent Zn, and four equivalent Tl atoms. All Zn–Zn bond lengths are 2.81 Å. All Zn–Tl bond lengths are 2.81 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to four equivalent Tc and four equivalent Zn atoms. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Tc and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlCoBi by Materials Project

CoTlBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Co is bonded to six equivalent Tl and four equivalent Bi atoms to form distorted CoTl6Bi4 tetrahedra that share corners with four equivalent TlCo6Bi4 tetrahedra, corners with six equivalent CoTl6Bi4 tetrahedra, edges with six equivalent TlCo6Bi4 tetrahedra, and faces with twelve equivalent CoTl6Bi4 tetrahedra. All Co–Tl bond lengths are 3.47 Å. All Co–Bi bond lengths are 3.01 Å. Tl is bonded to six equivalent Co and four equivalent Bi atoms to form distorted TlCo6Bi4 tetrahedra that share corners with four equivalent CoTl6Bi4 tetrahedra, corners with six equivalent TlCo6Bi4 tetrahedra, edges with six equivalent CoTl6Bi4 tetrahedra, and faces with twelve equivalent TlCo6Bi4 tetrahedra. All Tl–Bi bond lengths are 3.01 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Tl atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTlPd by Materials Project

PrPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to two equivalent Pr, five Pd, and three equivalent Tl atoms. Both Pr–Pr bond lengths are 3.24 Å. There are four shorter (3.32 Å) and one longer (3.48 Å) Pr–Pd bond lengths. There are one shorter (3.02 Å) and two longer (3.17 Å) Pr–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted trigonal planar geometry to three equivalent Pr and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.73 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Pr atoms. Tl is bonded in a 6-coordinate geometry to three equivalent Pr and one Pd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbYTl2 by Materials Project

TbYTl2 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 eight equivalent Tl atoms. All Tb–Tl bond lengths are 3.30 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.30 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYTl2 by Materials Project

PrYTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pr–Tl bond lengths are 3.35 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.35 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Tl by Materials Project

Li3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Tl atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Tl4 tetrahedra. All Li–Li bond lengths are 2.89 Å. All Li–Tl bond lengths are 2.89 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Tl atoms. All Li–Tl bond lengths are 3.34 Å. Tl is bonded in a body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb4Tl4O13 by Materials Project

Nb4Tl4O13 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and edges with six equivalent TlO7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 38°. All Nb–O bond lengths are 2.02 Å. Tl+1.50+ is bonded to seven O2- atoms to form distorted TlO7 hexagonal pyramids that share corners with three equivalent TlO7 hexagonal pyramids, edges with three equivalent TlO7 hexagonal pyramids, and edges with six equivalent NbO6 octahedra. There are a spread of Tl–O bond distances ranging from 2.37–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and two equivalent Tl+1.50+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Tl+1.50+ atoms. In the third O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Tl+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTl2Rh by Materials Project

LiRhTl2 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 2.92 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Rh–Tl bond lengths are 2.92 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcMgTl2 by Materials Project

MgAcTl2 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 Tl atoms. All Mg–Tl bond lengths are 3.40 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ac–Tl bond lengths are 3.40 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ac atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuTl2Cd by Materials Project

EuCdTl2 is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu is bonded in a distorted body-centered cubic geometry to six equivalent Cd and eight equivalent Tl atoms. All Eu–Cd bond lengths are 3.86 Å. There are six shorter (3.33 Å) and two longer (3.37 Å) Eu–Tl bond lengths. Cd is bonded in a 8-coordinate geometry to six equivalent Eu and eight equivalent Tl atoms. There are six shorter (3.34 Å) and two longer (3.37 Å) Cd–Tl bond lengths. Tl is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTmTl2 by Materials Project

LiTmTl2 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 3.16 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.16 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiErTl2 by Materials Project

LiErTl2 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 3.17 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Er–Tl bond lengths are 3.17 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAcTl2 by Materials Project

LiAcTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 3.39 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ac–Tl bond lengths are 3.39 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ac atoms.

36 MATERIALS SCIENCE↗