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At least 469 records · Page 26
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DOE OSTI2020

Materials Data on YLuTl2 by Materials Project

LuYTl2 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 eight equivalent Tl atoms. All Lu–Tl bond lengths are 3.27 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.27 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyYTl2 by Materials Project

DyYTl2 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 3.29 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.29 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmLuTl2 by Materials Project

LuTmTl2 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 eight equivalent Tl atoms. All Lu–Tl bond lengths are 3.25 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.25 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrTlHg2 by Materials Project

SrHg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent Tl atoms. All Sr–Hg bond lengths are 3.36 Å. All Sr–Tl bond lengths are 3.88 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.36 Å. Tl is bonded in a distorted body-centered cubic geometry to six equivalent Sr and eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YErTl2 by Materials Project

ErYTl2 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 3.28 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoTmTl2 by Materials Project

TmHoTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.26 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaTl2Cd by Materials Project

CaCdTl2 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 six equivalent Cd and eight equivalent Tl atoms. All Ca–Cd bond lengths are 3.81 Å. All Ca–Tl bond lengths are 3.30 Å. Cd is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Tl atoms. All Cd–Tl bond lengths are 3.30 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsTlF3 by Materials Project

CsTlF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs is bonded to twelve F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent TlF6 octahedra. There are a spread of Cs–F bond distances ranging from 3.34–3.45 Å. Tl is bonded to six F atoms to form TlF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Tl–F bond lengths are 2.40 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Tl atoms. In the second F site, F is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Tl atoms. In the third F site, F is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Tl atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTlCd by Materials Project

PrCdTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Cd and six equivalent Tl atoms to form a mixture of edge and face-sharing PrTl6Cd6 cuboctahedra. All Pr–Cd bond lengths are 3.49 Å. All Pr–Tl bond lengths are 3.49 Å. Cd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Tl atoms. All Cd–Tl bond lengths are 2.92 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTlZn by Materials Project

ErZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of edge and face-sharing ErTl6Zn6 cuboctahedra. All Er–Zn bond lengths are 3.25 Å. All Er–Tl bond lengths are 3.25 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.72 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTlZn by Materials Project

NdZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of edge and face-sharing NdTl6Zn6 cuboctahedra. All Nd–Zn bond lengths are 3.36 Å. All Nd–Tl bond lengths are 3.36 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.77 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdTlZn by Materials Project

GdZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of face and edge-sharing GdTl6Zn6 cuboctahedra. All Gd–Zn bond lengths are 3.31 Å. All Gd–Tl bond lengths are 3.31 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.75 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeTlCd by Materials Project

CeCdTl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded to six equivalent Cd and six equivalent Tl atoms to form a mixture of distorted edge and face-sharing CeTl6Cd6 cuboctahedra. There are two shorter (3.41 Å) and four longer (3.43 Å) Ce–Cd bond lengths. There are two shorter (3.41 Å) and four longer (3.43 Å) Ce–Tl bond lengths. Cd is bonded in a 11-coordinate geometry to six equivalent Ce and five equivalent Tl atoms. There are a spread of Cd–Tl bond distances ranging from 2.92–3.51 Å. Tl is bonded in a 11-coordinate geometry to six equivalent Ce and five equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTlCd by Materials Project

NdCdTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Cd and six equivalent Tl atoms to form a mixture of edge and face-sharing NdTl6Cd6 cuboctahedra. All Nd–Cd bond lengths are 3.47 Å. All Nd–Tl bond lengths are 3.47 Å. Cd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Tl atoms. All Cd–Tl bond lengths are 2.91 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyTlZn by Materials Project

DyZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of edge and face-sharing DyTl6Zn6 cuboctahedra. All Dy–Zn bond lengths are 3.27 Å. All Dy–Tl bond lengths are 3.27 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.72 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeTlZn by Materials Project

CeZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of face and edge-sharing CeTl6Zn6 cuboctahedra. All Ce–Zn bond lengths are 3.36 Å. All Ce–Tl bond lengths are 3.36 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.79 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaTlZn by Materials Project

LaZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of face and edge-sharing LaTl6Zn6 cuboctahedra. All La–Zn bond lengths are 3.42 Å. All La–Tl bond lengths are 3.42 Å. Zn is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.80 Å. Tl is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaTlCd by Materials Project

LaCdTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Cd and six equivalent Tl atoms to form a mixture of edge and face-sharing LaTl6Cd6 cuboctahedra. All La–Cd bond lengths are 3.52 Å. All La–Tl bond lengths are 3.52 Å. Cd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Tl atoms. All Cd–Tl bond lengths are 2.92 Å. Tl is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cd atoms.

36 MATERIALS SCIENCE↗