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At least 883 records · Page 49

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DOE OSTI2020

Materials Data on PmNdHg2 by Materials Project

PmNdHg2 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 eight equivalent Hg atoms. All Pm–Hg bond lengths are 3.31 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Nd–Hg bond lengths are 3.31 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Nd atoms.

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DOE OSTI2020

Materials Data on Hg2Br2N by Materials Project

Hg2NBr2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to five Br1- atoms to form corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.63–3.12 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent N2- and four Br1- atoms. Both Hg–N bond lengths are 2.08 Å. There are a spread of Hg–Br bond distances ranging from 3.26–3.62 Å. In the third Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent N2- and four Br1- atoms. Both Hg–N bond lengths are 2.08 Å. There are a spread of Hg–Br bond distances ranging from 3.26–3.62 Å. N2- is bonded in a trigonal planar geometry to three Hg2+ atoms. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to eight Hg2+ atoms to form distorted corner-sharing BrHg8 hexagonal bipyramids. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three Hg2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to three Hg2+ atoms.

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Materials Data on HoTmHg2 by Materials Project

TmHoHg2 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 Hg atoms. All Tm–Hg bond lengths are 3.20 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ho–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Ho atoms.

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Materials Data on CaSnHg2 by Materials Project

CaHg2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaHg2Sn 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 3.10 Å. Hg is bonded in a linear geometry to one Ca and one Sn atom. The Hg–Sn bond length is 2.87 Å. Sn is bonded in a linear geometry to two equivalent Hg atoms.

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Materials Data on PmZn2Hg by Materials Project

PmHgZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted body-centered cubic geometry to six equivalent Hg and eight equivalent Zn atoms. All Pm–Hg bond lengths are 3.46 Å. All Pm–Zn bond lengths are 3.00 Å. Hg is bonded in a distorted body-centered cubic geometry to six equivalent Pm and eight equivalent Zn atoms. All Hg–Zn bond lengths are 3.00 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Hg atoms.

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Materials Data on NaCaHg2 by Materials Project

NaCaHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaCaHg2 ribbons oriented in the (0, 1, 0) direction. Na is bonded in a linear geometry to two equivalent Hg atoms. Both Na–Hg bond lengths are 3.10 Å. Ca is bonded in a linear geometry to two equivalent Hg atoms. Both Ca–Hg bond lengths are 3.39 Å. Hg is bonded in a linear geometry to one Na and one Ca atom.

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Materials Data on ThAgHg2 by Materials Project

ThAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Th–Ag bond lengths are 3.64 Å. All Th–Hg bond lengths are 3.15 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.15 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Ag atoms.

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Materials Data on HoLuHg2 by Materials Project

LuHoHg2 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 3.19 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ho–Hg bond lengths are 3.19 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ho atoms.

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DOE OSTI2020

Materials Data on K2HgCl4O by Materials Project

K2HgOCl4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to two equivalent O and seven Cl atoms. Both K–O bond lengths are 3.15 Å. There are a spread of K–Cl bond distances ranging from 3.14–3.61 Å. In the second K site, K is bonded in a 9-coordinate geometry to two equivalent O and seven Cl atoms. Both K–O bond lengths are 3.00 Å. There are a spread of K–Cl bond distances ranging from 3.11–3.61 Å. Hg is bonded to six Cl atoms to form distorted edge-sharing HgCl6 octahedra. There are a spread of Hg–Cl bond distances ranging from 2.45–3.00 Å. O is bonded in a rectangular see-saw-like geometry to four K atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded to three equivalent K and two equivalent Hg atoms to form distorted ClK3Hg2 trigonal bipyramids that share corners with twelve ClK3Hg2 trigonal bipyramids and edges with eight ClK4Hg trigonal bipyramids. In the second Cl site, Cl is bonded to three equivalent K and two equivalent Hg atoms to form a mixture of edge and corner-sharing ClK3Hg2 trigonal bipyramids. In the third Cl site, Cl is bonded to four K and one Hg atom to form a mixture of distorted edge and corner-sharing ClK4Hg trigonal bipyramids.

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Materials Data on PmPrHg2 by Materials Project

PmPrHg2 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 eight equivalent Hg atoms. All Pm–Hg bond lengths are 3.32 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pr–Hg bond lengths are 3.32 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Pr atoms.

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Materials Data on Na2TlHg by Materials Project

Na2HgTl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Tl atoms to form distorted corner-sharing NaTl4 tetrahedra. All Na–Tl bond lengths are 3.28 Å. In the second Na site, Na is bonded to four equivalent Hg atoms to form distorted corner-sharing NaHg4 tetrahedra. All Na–Hg bond lengths are 3.28 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Hg atoms.

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Materials Data on Np3Hg by Materials Project

Np3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Hg atoms to form distorted NpNp8Hg4 cuboctahedra that share corners with twelve equivalent NpNp8Hg4 cuboctahedra, edges with eight equivalent NpNp8Hg4 cuboctahedra, edges with eight equivalent HgNp12 cuboctahedra, faces with four equivalent HgNp12 cuboctahedra, and faces with ten equivalent NpNp8Hg4 cuboctahedra. There are four shorter (3.21 Å) and four longer (3.27 Å) Np–Np bond lengths. All Np–Hg bond lengths are 3.27 Å. In the second Np site, Np is bonded in a distorted square co-planar geometry to eight equivalent Np and four equivalent Hg atoms. All Np–Hg bond lengths are 3.21 Å. Hg is bonded to twelve Np atoms to form HgNp12 cuboctahedra that share corners with four equivalent HgNp12 cuboctahedra, edges with eight equivalent HgNp12 cuboctahedra, edges with sixteen equivalent NpNp8Hg4 cuboctahedra, faces with four equivalent HgNp12 cuboctahedra, and faces with eight equivalent NpNp8Hg4 cuboctahedra.

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Materials Data on CaSnHg by Materials Project

CaHgSn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Hg and six equivalent Sn atoms to form a mixture of edge and face-sharing CaSn6Hg6 cuboctahedra. All Ca–Hg bond lengths are 3.45 Å. All Ca–Sn bond lengths are 3.45 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Sn atoms. All Hg–Sn bond lengths are 2.88 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Hg atoms.

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Materials Data on YZnHg2 by Materials Project

YHg2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YHg2Zn ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Hg atoms. Both Y–Hg bond lengths are 3.08 Å. Hg is bonded in a linear geometry to one Y and one Zn atom. The Hg–Zn bond length is 2.76 Å. Zn is bonded in a linear geometry to two equivalent Hg atoms.

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Materials Data on YHg2Au by Materials Project

YAuHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YAuHg2 ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Hg atoms. Both Y–Hg bond lengths are 3.12 Å. Au is bonded in a linear geometry to two equivalent Hg atoms. Both Au–Hg bond lengths are 2.72 Å. Hg is bonded in a linear geometry to one Y and one Au atom.

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DOE OSTI2020

Materials Data on LiCeHg2 by Materials Project

LiCeHg2 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 3.15 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ce–Hg bond lengths are 3.15 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ce atoms.

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Materials Data on ErTmHg2 by Materials Project

TmErHg2 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 Hg atoms. All Tm–Hg bond lengths are 3.20 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Er–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.

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Materials Data on SiHg2(OF3)2 by Materials Project

Hg2Si(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Hg2Si(OF3)2 ribbons oriented in the (1, 1, 0) direction. Hg is bonded in a distorted linear geometry to one O and one F atom. The Hg–O bond length is 2.05 Å. The Hg–F bond length is 2.14 Å. Si is bonded in an octahedral geometry to six F atoms. There are a spread of Si–F bond distances ranging from 1.67–1.81 Å. O is bonded in a water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Si atom. In the second F site, F is bonded in a single-bond geometry to one Si atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Hg and one Si atom.

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