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At least 1,027 records · Page 57
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DOE OSTI2020

Materials Data on Ho2TlHg by Materials Project

Ho2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Ho–Hg bond lengths are 3.24 Å. All Ho–Tl bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pm2TlZn by Materials Project

Pm2ZnTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Tl atoms. All Pm–Zn bond lengths are 3.29 Å. All Pm–Tl bond lengths are 3.29 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2TlIn by Materials Project

Eu2TlIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to four equivalent Tl and four equivalent In atoms. All Eu–Tl bond lengths are 3.36 Å. All Eu–In bond lengths are 3.36 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. In is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Cs11Tl6Cl29 by Materials Project

Cs11Tl6Cl29 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with two equivalent CsCl12 cuboctahedra and faces with six TlCl6 octahedra. There are a spread of Cs–Cl bond distances ranging from 3.76–3.87 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.50–3.87 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted q6 geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.60–3.88 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.61–4.04 Å. In the fifth Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.63–3.88 Å. In the sixth Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.78–3.89 Å. There are three inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six Cl1- atoms to form corner-sharing TlCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Tl–Cl bond distances ranging from 2.54–2.86 Å. In the second Tl3+ site, Tl3+ is bonded to six Cl1- atoms to form distorted TlCl6 octahedra that share corners with two equivalent TlCl6 octahedra and a faceface with one CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Tl–Cl bond distances ranging from 2.48–3.08 Å. In the third Tl3+ site, Tl3+ is bonded to six Cl1- atoms to form TlCl6 octahedra that share corners with three TlCl6 octahedra and faces with two equivalent CsCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Tl–Cl bond distances ranging from 2.57–2.79 Å. There are eleven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Tl3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Tl3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Tl3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Tl3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Tl3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Cs1+ and two Tl3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Tl3+ atom. In the eighth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Tl3+ atom. In the ninth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and one Tl3+ atom. In the tenth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Tl3+ atom. In the eleventh Cl1- site, Cl1- is bonded to four Cs1+ and two equivalent Tl3+ atoms to form distorted face-sharing ClCs4Tl2 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlHPd3 by Materials Project

Pd3TlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to four equivalent Tl and two equivalent H atoms to form a mixture of face, edge, and corner-sharing PdTl4H2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. All Pd–Tl bond lengths are 2.93 Å. Both Pd–H bond lengths are 2.07 Å. Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra, faces with six equivalent TlPd12 cuboctahedra, and faces with eight equivalent HPd6 octahedra. H is bonded to six equivalent Pd atoms to form HPd6 octahedra that share corners with six equivalent HPd6 octahedra and faces with eight equivalent TlPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Sc2BeTl by Materials Project

BeSc2Tl crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two BeSc2Tl ribbons oriented in the (0, 0, 1) direction. Be is bonded in a linear geometry to two equivalent Sc atoms. Both Be–Sc bond lengths are 2.58 Å. Sc is bonded in a linear geometry to one Be and one Tl atom. The Sc–Tl bond length is 2.96 Å. Tl is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pm2TlHg by Materials Project

Pm2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Pm–Hg bond lengths are 3.34 Å. All Pm–Tl bond lengths are 3.34 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.

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DOE OSTI2020

Materials Data on TlSnPb2 by Materials Project

TlPb2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TlPb2Sn ribbons oriented in the (0, 1, 0) direction. Tl is bonded in a linear geometry to two equivalent Pb atoms. Both Tl–Pb bond lengths are 3.32 Å. Pb is bonded in a linear geometry to one Tl and one Sn atom. The Pb–Sn bond length is 2.73 Å. Sn is bonded in a linear geometry to two equivalent Pb atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2TlSn by Materials Project

Eu2TlSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to four equivalent Tl and four equivalent Sn atoms. All Eu–Tl bond lengths are 3.44 Å. All Eu–Sn bond lengths are 3.44 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2TlZn by Materials Project

Y2ZnTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Tl atoms. All Y–Zn bond lengths are 3.20 Å. All Y–Tl bond lengths are 3.20 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Y atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAc2Tl by Materials Project

LiAc2Tl 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 Ac atoms. All Li–Ac bond lengths are 3.55 Å. Ac is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Ac–Tl bond lengths are 3.55 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcTlRh2 by Materials Project

AcRh2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ac–Rh bond lengths are 3.05 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Tl atoms. All Rh–Tl bond lengths are 3.05 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2TlCd by Materials Project

Mg2CdTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2CdTl ribbons oriented in the (0, 1, 0) direction. Mg is bonded in a linear geometry to one Cd and one Tl atom. The Mg–Cd bond length is 3.23 Å. The Mg–Tl bond length is 3.28 Å. Cd is bonded in a linear geometry to two equivalent Mg atoms. Tl is bonded in a linear geometry to two equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2TlHg by Materials Project

Li2HgTl 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 Hg and four equivalent Tl atoms. All Li–Hg bond lengths are 2.94 Å. All Li–Tl bond lengths are 2.94 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2TlZn by Materials Project

Er2ZnTl 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 four equivalent Zn and four equivalent Tl atoms. All Er–Zn bond lengths are 3.16 Å. All Er–Tl bond lengths are 3.16 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl5NO5 by Materials Project

Tl5NO5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Tl5NO5 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Tl–O bond lengths are 2.38 Å. In the second Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.53 Å) and one longer (2.73 Å) Tl–O bond lengths. In the third Tl1+ site, Tl1+ is bonded in a water-like geometry to two equivalent O2- atoms. There are one shorter (2.41 Å) and one longer (2.45 Å) Tl–O bond lengths. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.44 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one N5+ and one O2- atom. The O–O bond length is 1.40 Å. In the second O2- site, O2- is bonded to four Tl1+ atoms to form corner-sharing OTl4 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlCdIn2 by Materials Project

CdTlIn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CdTlIn2 ribbons oriented in the (1, 0, 0) direction. Cd is bonded in a linear geometry to two equivalent In atoms. Both Cd–In bond lengths are 3.02 Å. Tl is bonded in a linear geometry to two equivalent In atoms. Both Tl–In bond lengths are 2.97 Å. In is bonded in a linear geometry to one Cd and one Tl atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2AlTl by Materials Project

Sc2TlAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2TlAl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Tl and one Al atom. The Sc–Tl bond length is 2.87 Å. The Sc–Al bond length is 2.72 Å. Tl is bonded in a linear geometry to two equivalent Sc atoms. Al is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗