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At least 1,135 records · Page 63
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DOE OSTI2020

Materials Data on Tm3Hg by Materials Project

Tm3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Hg atoms to form distorted TmTm8Hg4 cuboctahedra that share corners with twelve equivalent TmTm8Hg4 cuboctahedra, edges with eight equivalent HgTm12 cuboctahedra, edges with sixteen equivalent TmTm8Hg4 cuboctahedra, faces with four equivalent HgTm12 cuboctahedra, and faces with fourteen equivalent TmTm8Hg4 cuboctahedra. All Tm–Tm bond lengths are 3.35 Å. All Tm–Hg bond lengths are 3.35 Å. Hg is bonded to twelve equivalent Tm atoms to form HgTm12 cuboctahedra that share corners with twelve equivalent HgTm12 cuboctahedra, edges with twenty-four equivalent TmTm8Hg4 cuboctahedra, faces with six equivalent HgTm12 cuboctahedra, and faces with twelve equivalent TmTm8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag4Sn2(HgSe3)3 by Materials Project

Ag4Sn2(HgSe3)3 is Stannite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with two SnSe4 tetrahedra, corners with three AgSe4 tetrahedra, and corners with seven HgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.61–2.71 Å. In the second Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with three AgSe4 tetrahedra, corners with four SnSe4 tetrahedra, and corners with five HgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.61–2.78 Å. In the third Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with three HgSe4 tetrahedra, corners with four SnSe4 tetrahedra, and corners with five AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.66–2.69 Å. In the fourth Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with three HgSe4 tetrahedra, corners with four SnSe4 tetrahedra, and corners with five AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.66–2.69 Å. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four Se2- atoms to form HgSe4 tetrahedra that share corners with two SnSe4 tetrahedra, corners with four HgSe4 tetrahedra, and corners with six AgSe4 tetrahedra. There are a spread of Hg–Se bond distances ranging from 2.62–2.81 Å. In the second Hg2+ site, Hg2+ is bonded to four Se2- atoms to form HgSe4 tetrahedra that share corners with two SnSe4 tetrahedra, corners with four HgSe4 tetrahedra, and corners with six AgSe4 tetrahedra. There are a spread of Hg–Se bond distances ranging from 2.62–2.81 Å. In the third Hg2+ site, Hg2+ is bonded to four Se2- atoms to form HgSe4 tetrahedra that share corners with two HgSe4 tetrahedra, corners with four SnSe4 tetrahedra, and corners with six AgSe4 tetrahedra. There are a spread of Hg–Se bond distances ranging from 2.63–2.96 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share a cornercorner with one SnSe4 tetrahedra, corners with five HgSe4 tetrahedra, and corners with six AgSe4 tetrahedra. There are three shorter (2.60 Å) and one longer (2.71 Å) Sn–Se bond lengths. In the second Sn4+ site, Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share a cornercorner with one SnSe4 tetrahedra, corners with three HgSe4 tetrahedra, and corners with eight AgSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.57–2.74 Å. There are nine inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Ag1+ and one Sn4+ atom to form corner-sharing SeAg3Sn tetrahedra. In the second Se2- site, Se2- is bonded to one Ag1+, one Hg2+, and two Sn4+ atoms to form corner-sharing SeAgSn2Hg tetrahedra. In the third Se2- site, Se2- is bonded to one Ag1+, two Hg2+, and one Sn4+ atom to form corner-sharing SeAgSnHg2 tetrahedra. In the fourth Se2- site, Se2- is bonded to one Ag1+ and three Hg2+ atoms to form corner-sharing SeAgHg3 tetrahedra. In the fifth Se2- site, Se2- is bonded to two Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra. In the sixth Se2- site, Se2- is bonded to two Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra. In the seventh Se2- site, Se2- is bonded to two Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra. In the eighth Se2- site, Se2- is bonded to two Ag1+ and two Hg2+ atoms to form corner-sharing SeAg2Hg2 tetrahedra. In the ninth Se2- site, Se2- is bonded to two Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2HgPd by Materials Project

Y2PdHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2PdHg ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Pd and one Hg atom. The Y–Pd bond length is 2.60 Å. The Y–Hg bond length is 2.92 Å. Pd is bonded in a linear geometry to two equivalent Y atoms. Hg is bonded in a linear geometry to two equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Hg by Materials Project

MgSc2Hg 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 Sc atoms. All Mg–Sc bond lengths are 3.07 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Hg atoms. All Sc–Hg bond lengths are 3.07 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba2TlHg by Materials Project

Ba2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Ba–Hg bond lengths are 3.69 Å. All Ba–Tl bond lengths are 3.69 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac2ZnHg by Materials Project

Ac2HgZn 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 four equivalent Hg and four equivalent Zn atoms. All Ac–Hg bond lengths are 3.45 Å. All Ac–Zn bond lengths are 3.45 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2TlHg by Materials Project

Ca2HgTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2HgTl ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Hg and one Tl atom. The Ca–Hg bond length is 3.28 Å. The Ca–Tl bond length is 3.04 Å. Hg is bonded in a linear geometry to two equivalent Ca atoms. Tl is bonded in a linear geometry to two equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgF3 by Materials Project

(HgF2)2F2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one HgF2 framework. In the HgF2 framework, Hg is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Hg–F bond lengths are 2.48 Å. F is bonded to four equivalent Hg atoms to form a mixture of edge and corner-sharing FHg4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2AgHg by Materials Project

Y2AgHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2AgHg ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Ag and one Hg atom. The Y–Ag bond length is 2.98 Å. The Y–Hg bond length is 2.93 Å. Ag is bonded in a linear geometry to two equivalent Y atoms. Hg is bonded in a linear geometry to two equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2HgTe by Materials Project

K2HgTe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two K2HgTe ribbons oriented in the (0, 1, 0) direction. K is bonded in a linear geometry to one Hg and one Te atom. The K–Hg bond length is 3.89 Å. The K–Te bond length is 3.06 Å. Hg is bonded in a linear geometry to two equivalent K atoms. Te is bonded in a linear geometry to two equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrHgAu2 by Materials Project

ZrAu2Hg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ZrAu2Hg ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to two equivalent Au atoms. Both Zr–Au bond lengths are 2.64 Å. Au is bonded in a linear geometry to one Zr and one Hg atom. The Au–Hg bond length is 2.96 Å. Hg is bonded in a linear geometry to two equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2ZnHg by Materials Project

Li2HgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2HgZn ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one Hg and one Zn atom. The Li–Hg bond length is 2.82 Å. The Li–Zn bond length is 2.79 Å. Hg is bonded in a linear geometry to two equivalent Li atoms. Zn is bonded in a linear geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2CdHg by Materials Project

Eu2HgCd 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 Hg and four equivalent Cd atoms. All Eu–Hg bond lengths are 3.42 Å. All Eu–Cd bond lengths are 3.42 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2TlHg by Materials Project

Gd2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Gd–Hg bond lengths are 3.28 Å. All Gd–Tl bond lengths are 3.28 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2TlHg by Materials Project

Eu2HgTl 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 Hg and four equivalent Tl atoms. All Eu–Hg bond lengths are 3.42 Å. All Eu–Tl bond lengths are 3.42 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2TlHg by Materials Project

Na2HgTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Na2HgTl ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to one Hg and one Tl atom. The Na–Hg bond length is 3.18 Å. The Na–Tl bond length is 3.19 Å. Hg is bonded in a linear geometry to two equivalent Na atoms. Tl is bonded in a linear geometry to two equivalent Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Hg by Materials Project

Mg3Hg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Hg atoms to form distorted MgMg8Hg4 cuboctahedra that share corners with four equivalent HgMg12 cuboctahedra, corners with fourteen equivalent MgMg8Hg4 cuboctahedra, edges with six equivalent HgMg12 cuboctahedra, edges with twelve equivalent MgMg8Hg4 cuboctahedra, faces with four equivalent HgMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Hg4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.17 Å. There are two shorter (3.10 Å) and two longer (3.14 Å) Mg–Hg bond lengths. Hg is bonded to twelve equivalent Mg atoms to form HgMg12 cuboctahedra that share corners with six equivalent HgMg12 cuboctahedra, corners with twelve equivalent MgMg8Hg4 cuboctahedra, edges with eighteen equivalent MgMg8Hg4 cuboctahedra, faces with eight equivalent HgMg12 cuboctahedra, and faces with twelve equivalent MgMg8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2ZnHg by Materials Project

Y2HgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2HgZn ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Hg and one Zn atom. The Y–Hg bond length is 3.00 Å. The Y–Zn bond length is 3.03 Å. Hg is bonded in a linear geometry to two equivalent Y atoms. Zn is bonded in a linear geometry to two equivalent Y atoms.

36 MATERIALS SCIENCE↗