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At least 883 records · Page 49
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DOE OSTI2020

Materials Data on LaTlAg2 by Materials Project

LaAg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All La–Ag bond lengths are 3.17 Å. Ag is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Tl atoms. All Ag–Tl bond lengths are 3.17 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2TlCd by Materials Project

Ca2CdTl 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 Cd and four equivalent Tl atoms. All Ca–Cd bond lengths are 3.35 Å. All Ca–Tl bond lengths are 3.35 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

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DOE OSTI2020

Materials Data on La2TlCd by Materials Project

La2CdTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All La–Cd bond lengths are 3.44 Å. All La–Tl bond lengths are 3.44 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent La atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScTlRh2 by Materials Project

ScRh2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.82 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Tl atoms. All Rh–Tl bond lengths are 2.82 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTl by Materials Project

LiTl is Tetraauricupride structured and crystallizes in the cubic Pm-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 3.01 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2PAuS4 by Materials Project

AuTl2PS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Au1+ is bonded in a 2-coordinate geometry to two equivalent Tl1+ and two equivalent S2- atoms. Both Au–Tl bond lengths are 3.68 Å. Both Au–S bond lengths are 2.33 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.23–3.57 Å. In the second Tl1+ site, Tl1+ is bonded to two equivalent Au1+ and six S2- atoms to form distorted TlAu2S6 hexagonal bipyramids that share corners with four equivalent TlAu2S6 hexagonal bipyramids, corners with two equivalent PS4 tetrahedra, edges with two equivalent TlAu2S6 hexagonal bipyramids, and edges with two equivalent PS4 tetrahedra. There are a spread of Tl–S bond distances ranging from 3.08–3.72 Å. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with two equivalent TlAu2S6 hexagonal bipyramids and edges with two equivalent TlAu2S6 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.02–2.10 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one P5+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Tl1+ and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to one Au1+, three Tl1+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlTlSe2 by Materials Project

TlAlSe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Se2- atoms. Both Tl–Tl bond lengths are 3.22 Å. All Tl–Se bond lengths are 3.51 Å. Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.44 Å. Se2- is bonded in a distorted L-shaped geometry to four equivalent Tl1+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlGaSe2 by Materials Project

TlGaSe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Se2- atoms. Both Tl–Tl bond lengths are 3.27 Å. All Tl–Se bond lengths are 3.50 Å. Ga3+ is bonded to four equivalent Se2- atoms to form edge-sharing GaSe4 tetrahedra. All Ga–Se bond lengths are 2.47 Å. Se2- is bonded in a distorted L-shaped geometry to four equivalent Tl1+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaTlPt by Materials Project

TaPtTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded to four equivalent Pt atoms to form TaPt4 tetrahedra that share corners with four equivalent TlPt4 tetrahedra, corners with twelve equivalent TaPt4 tetrahedra, and edges with six equivalent TlPt4 tetrahedra. All Ta–Pt bond lengths are 2.74 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Tl atoms. All Pt–Tl bond lengths are 2.74 Å. Tl is bonded to four equivalent Pt atoms to form distorted TlPt4 tetrahedra that share corners with four equivalent TaPt4 tetrahedra, corners with twelve equivalent TlPt4 tetrahedra, and edges with six equivalent TaPt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YMgTl by Materials Project

MgYTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to four equivalent Y atoms to form MgY4 tetrahedra that share corners with four equivalent TlY4 tetrahedra, corners with twelve equivalent MgY4 tetrahedra, and edges with six equivalent TlY4 tetrahedra. All Mg–Y bond lengths are 3.13 Å. Y is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Y–Tl bond lengths are 3.13 Å. Tl is bonded to four equivalent Y atoms to form TlY4 tetrahedra that share corners with four equivalent MgY4 tetrahedra, corners with twelve equivalent TlY4 tetrahedra, and edges with six equivalent MgY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YTlCd by Materials Project

YCdTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All Y–Cd bond lengths are 3.12 Å. All Y–Tl bond lengths are 3.12 Å. Cd is bonded to four equivalent Y atoms to form CdY4 tetrahedra that share corners with four equivalent TlY4 tetrahedra, corners with twelve equivalent CdY4 tetrahedra, and edges with six equivalent TlY4 tetrahedra. Tl is bonded to four equivalent Y atoms to form TlY4 tetrahedra that share corners with four equivalent CdY4 tetrahedra, corners with twelve equivalent TlY4 tetrahedra, and edges with six equivalent CdY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2MgTl by Materials Project

MgTm2Tl 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 Tm atoms. All Mg–Tm bond lengths are 3.23 Å. Tm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Tm–Tl bond lengths are 3.23 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbTlHg2 by Materials Project

YbHg2Tl is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. There are two shorter (3.17 Å) and six longer (3.25 Å) Yb–Hg bond lengths. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Tl atoms. There are one shorter (3.18 Å) and three longer (3.24 Å) Hg–Tl bond lengths. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2TlAg by Materials Project

Sm2AgTl 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 four equivalent Ag and four equivalent Tl atoms. All Sm–Ag bond lengths are 3.29 Å. All Sm–Tl bond lengths are 3.29 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmTlAu2 by Materials Project

SmAu2Tl 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 Au atoms. All Sm–Au bond lengths are 3.12 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Tl atoms. All Au–Tl bond lengths are 3.12 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaTlHg2 by Materials Project

LaHg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All La–Hg bond lengths are 3.29 Å. Hg is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.29 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2TlZn by Materials Project

La2ZnTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Tl atoms. All La–Zn bond lengths are 3.38 Å. All La–Tl bond lengths are 3.38 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent La atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2TlHg by Materials Project

La2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All La–Hg bond lengths are 3.43 Å. All La–Tl bond lengths are 3.43 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent La atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent La atoms.

36 MATERIALS SCIENCE↗