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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on LiThHg2 by Materials Project

LiThHg2 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 Hg atoms. All Li–Hg bond lengths are 3.17 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Th–Hg bond lengths are 3.17 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Th atoms.

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Materials Data on NaGdHg2 by Materials Project

NaGdHg2 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 Hg atoms. All Na–Hg bond lengths are 3.21 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Gd–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Gd atoms.

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Materials Data on LiCaHg2 by Materials Project

LiCaHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiCaHg2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Hg atoms. Both Li–Hg bond lengths are 2.77 Å. Ca is bonded in a linear geometry to two equivalent Hg atoms. Both Ca–Hg bond lengths are 3.37 Å. Hg is bonded in a linear geometry to one Li and one Ca atom.

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Materials Data on CaHg2Pd by Materials Project

CaPdHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaPdHg2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Hg atoms. Both Ca–Hg bond lengths are 3.21 Å. Pd is bonded in a linear geometry to two equivalent Hg atoms. Both Pd–Hg bond lengths are 2.65 Å. Hg is bonded in a linear geometry to one Ca and one Pd atom.

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DOE OSTI2020

Materials Data on Ce3Hg by Materials Project

Ce3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Hg atoms to form distorted CeCe8Hg4 cuboctahedra that share corners with twelve equivalent CeCe8Hg4 cuboctahedra, edges with eight equivalent CeCe8Hg4 cuboctahedra, edges with eight equivalent HgCe12 cuboctahedra, faces with four equivalent HgCe12 cuboctahedra, and faces with ten equivalent CeCe8Hg4 cuboctahedra. There are four shorter (3.31 Å) and four longer (3.38 Å) Ce–Ce bond lengths. All Ce–Hg bond lengths are 3.38 Å. In the second Ce site, Ce is bonded in a distorted square co-planar geometry to eight equivalent Ce and four equivalent Hg atoms. All Ce–Hg bond lengths are 3.31 Å. Hg is bonded to twelve Ce atoms to form HgCe12 cuboctahedra that share corners with four equivalent HgCe12 cuboctahedra, edges with eight equivalent HgCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hg4 cuboctahedra, faces with four equivalent HgCe12 cuboctahedra, and faces with eight equivalent CeCe8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3I2ClO6 by Materials Project

Hg3O6I2Cl crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Hg3O6I2Cl sheets oriented in the (0, 1, 0) direction. there are three inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.02 Å) and one longer (2.06 Å) Hg–O bond lengths. In the second Hg1+ site, Hg1+ is bonded in a 4-coordinate geometry to three O2- and one I5+ atom. There are a spread of Hg–O bond distances ranging from 2.15–2.75 Å. The Hg–I bond length is 2.66 Å. In the third Hg1+ site, Hg1+ is bonded to three O2- and one I5+ atom to form distorted HgIO3 trigonal pyramids that share a cornercorner with one ClO4 tetrahedra. There are a spread of Hg–O bond distances ranging from 2.17–2.71 Å. The Hg–I bond length is 2.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg1+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Hg1+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg1+ atoms. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a single-bond geometry to one Hg1+ atom. In the second I5+ site, I5+ is bonded in a single-bond geometry to one Hg1+ atom. Cl1- is bonded to four O2- atoms to form ClO4 tetrahedra that share a cornercorner with one HgIO3 trigonal pyramid.

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Materials Data on LiInHg2 by Materials Project

LiHg2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiHg2In ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Hg atoms. Both Li–Hg bond lengths are 2.70 Å. Hg is bonded in a linear geometry to one Li and one In atom. The Hg–In bond length is 3.08 Å. In is bonded in a linear geometry to two equivalent Hg atoms.

36 MATERIALS SCIENCE↗
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Materials Data on YbAlHg2 by Materials Project

YbHg2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Yb–Hg bond lengths are 3.08 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Al atoms. All Hg–Al bond lengths are 3.08 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LiZrHg2 by Materials Project

LiZrHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiZrHg2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Hg atoms. Both Li–Hg bond lengths are 2.69 Å. Zr is bonded in a linear geometry to two equivalent Hg atoms. Both Zr–Hg bond lengths are 3.00 Å. Hg is bonded in a linear geometry to one Li and one Zr atom.

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Materials Data on YLuHg2 by Materials Project

LuYHg2 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 Hg atoms. All Lu–Hg bond lengths are 3.20 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Y–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.

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Materials Data on KHgBr3O by Materials Project

KHgOBr3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K is bonded in a 3-coordinate geometry to three equivalent O and five Br atoms. There are one shorter (2.89 Å) and two longer (3.06 Å) K–O bond lengths. There are a spread of K–Br bond distances ranging from 3.48–3.53 Å. Hg is bonded to four Br atoms to form corner-sharing HgBr4 tetrahedra. There are a spread of Hg–Br bond distances ranging from 2.59–2.82 Å. O is bonded in a rectangular see-saw-like geometry to three equivalent K and one Br atom. The O–Br bond length is 1.80 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a distorted bent 120 degrees geometry to two equivalent K, one Hg, and one O atom. In the second Br site, Br is bonded in a 4-coordinate geometry to three equivalent K and one Hg atom. In the third Br site, Br is bonded in a water-like geometry to two equivalent Hg atoms.

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Materials Data on LiCdHg2 by Materials Project

LiHg2Cd 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 Hg atoms. All Li–Hg bond lengths are 3.03 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.03 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.

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Materials Data on CaHg2Pb by Materials Project

CaHg2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaHg2Pb ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Hg atoms. Both Ca–Hg bond lengths are 3.09 Å. Hg is bonded in a linear geometry to one Ca and one Pb atom. The Hg–Pb bond length is 2.94 Å. Pb is bonded in a linear geometry to two equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaSrHg2 by Materials Project

BaSrHg2 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 eight equivalent Hg atoms. All Ba–Hg bond lengths are 3.57 Å. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sr–Hg bond lengths are 3.57 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyLuHg2 by Materials Project

LuDyHg2 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 Hg atoms. All Lu–Hg bond lengths are 3.20 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Dy–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbDyHg2 by Materials Project

DyTbHg2 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 Hg atoms. All Dy–Hg bond lengths are 3.24 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgInHg2 by Materials Project

MgHg2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgHg2In ribbons oriented in the (0, 1, 0) direction. Mg is bonded in a linear geometry to two equivalent Hg atoms. Both Mg–Hg bond lengths are 3.10 Å. Hg is bonded in a linear geometry to one Mg and one In atom. The Hg–In bond length is 3.22 Å. In is bonded in a linear geometry to two equivalent Hg atoms.

36 MATERIALS SCIENCE↗
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Materials Data on EuHg2Pb by Materials Project

EuHg2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Hg and six equivalent Pb atoms. All Eu–Hg bond lengths are 3.31 Å. All Eu–Pb bond lengths are 3.82 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Pb atoms. All Hg–Pb bond lengths are 3.31 Å. Pb is bonded in a distorted body-centered cubic geometry to six equivalent Eu and eight equivalent Hg atoms.

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