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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Materials Data on Lu2TlHg by Materials Project

Lu2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Lu–Hg bond lengths are 3.20 Å. All Lu–Tl bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Tl by Materials Project

K3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent 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 equivalent KK8Tl4 cuboctahedra, faces with four equivalent TlK12 cuboctahedra, and faces with fourteen equivalent KK8Tl4 cuboctahedra. All K–K bond lengths are 4.18 Å. All K–Tl bond lengths are 4.18 Å. Tl is bonded to twelve equivalent K atoms to form TlK12 cuboctahedra that share corners with twelve equivalent TlK12 cuboctahedra, edges with twenty-four equivalent KK8Tl4 cuboctahedra, faces with six equivalent TlK12 cuboctahedra, and faces with twelve equivalent KK8Tl4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Tl by Materials Project

K3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Tl atoms to form a mixture of distorted corner, edge, and face-sharing KK4Tl4 tetrahedra. All K–K bond lengths are 4.05 Å. All K–Tl bond lengths are 4.05 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Tl by Materials Project

Rb3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing RbRb4Tl4 tetrahedra. All Rb–Rb bond lengths are 4.25 Å. All Rb–Tl bond lengths are 4.25 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTlAg2 by Materials Project

NdAg2Tl 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 Ag atoms. All Nd–Ag bond lengths are 3.12 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Tl atoms. All Ag–Tl bond lengths are 3.12 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbTlO3 by Materials Project

RbTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent TlO6 octahedra. All Rb–O bond lengths are 3.16 Å. Tl is bonded to six equivalent O atoms to form TlO6 octahedra that share corners with six equivalent TlO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–O bond lengths are 2.23 Å. O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tl atoms.

36 MATERIALS SCIENCE↗