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At least 451 records · Page 25

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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DOE OSTI2020

Materials Data on LiHoTl2 by Materials Project

LiHoTl2 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 3.18 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.18 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ho atoms.

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DOE OSTI2020

Materials Data on LiPmTl2 by Materials Project

LiPmTl2 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 3.23 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pm–Tl bond lengths are 3.23 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pm atoms.

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DOE OSTI2020

Materials Data on Li2PmTl by Materials Project

Li2PmTl 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 four equivalent Pm and four equivalent Tl atoms. All Li–Pm bond lengths are 3.02 Å. All Li–Tl bond lengths are 3.02 Å. Pm is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Tl atoms. All Pm–Tl bond lengths are 3.49 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Pm atoms.

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DOE OSTI2020

Materials Data on NaPmTl2 by Materials Project

NaPmTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Na–Tl bond lengths are 3.32 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pm–Tl bond lengths are 3.32 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pm atoms.

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DOE OSTI2020

Materials Data on LiMgTl2 by Materials Project

LiMgTl2 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 3.13 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Mg–Tl bond lengths are 3.13 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms.

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DOE OSTI2020

Materials Data on HoMgTl2 by Materials Project

MgHoTl2 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 3.22 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.22 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ho atoms.

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DOE OSTI2020

Materials Data on Mg3Tl by Materials Project

Mg3Tl is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Tl atoms to form MgMg8Tl4 cuboctahedra that share corners with four equivalent TlMg12 cuboctahedra, corners with fourteen MgMg8Tl4 cuboctahedra, edges with six equivalent TlMg12 cuboctahedra, edges with twelve equivalent MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with sixteen MgMg8Tl4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.24 Å. There are two shorter (3.20 Å) and two longer (3.23 Å) Mg–Tl bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form MgMg8Tl4 cuboctahedra that share corners with four equivalent TlMg12 cuboctahedra, corners with fourteen MgMg8Tl4 cuboctahedra, edges with six equivalent TlMg12 cuboctahedra, edges with twelve MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with sixteen MgMg8Tl4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.17–3.24 Å. There are two shorter (3.21 Å) and two longer (3.23 Å) Mg–Tl bond lengths. Tl is bonded to twelve Mg atoms to form TlMg12 cuboctahedra that share corners with six equivalent TlMg12 cuboctahedra, corners with twelve MgMg8Tl4 cuboctahedra, edges with eighteen MgMg8Tl4 cuboctahedra, faces with eight equivalent TlMg12 cuboctahedra, and faces with twelve MgMg8Tl4 cuboctahedra.

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DOE OSTI2020

Materials Data on NaCeTl2 by Materials Project

NaCeTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Na–Tl bond lengths are 3.33 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ce–Tl bond lengths are 3.33 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ce atoms.

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DOE OSTI2020

Materials Data on NaAcTl2 by Materials Project

NaAcTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Na–Tl bond lengths are 3.47 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ac–Tl bond lengths are 3.47 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ac atoms.

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