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At least 955 records · Page 53
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DOE OSTI2020

Materials Data on Hg4HN3O10 by Materials Project

HgNO3Hg3N2HO7 crystallizes in the orthorhombic Aea2 space group. The structure is one-dimensional and consists of eight nitrooxymercury molecules and four Hg3N2HO7 ribbons oriented in the (1, 0, 0) direction. In each Hg3N2HO7 ribbon, there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.20 Å. In the second Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.30–2.69 Å. In the third Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.39–2.79 Å. There are two inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.31 Å. In the second N+3.67+ site, N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.29 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Hg2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one N+3.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N+3.67+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and one N+3.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N+3.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaHg by Materials Project

LaHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All La–Hg bond lengths are 3.39 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgH3CSO3 by Materials Project

HgSO3CH3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight methane molecules and one HgSO3 framework. In the HgSO3 framework, Hg1+ is bonded in a 1-coordinate geometry to one Hg1+ and five O2- atoms. The Hg–Hg bond length is 2.59 Å. There are a spread of Hg–O bond distances ranging from 2.25–3.02 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Hg1+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Hg1+ and one S2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3SeO6 by Materials Project

Hg3SeO6 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.12–3.07 Å. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.18–2.84 Å. In the third Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.18–3.02 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Hg2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Hg2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Hg2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Hg2+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Hg2+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgO2 by Materials Project

HgO2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two HgO2 ribbons oriented in the (1, 0, 1) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.11 Å. O is bonded in a distorted water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgHg by Materials Project

AgHg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ag–Hg bond lengths are 2.99 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrHg3 by Materials Project

PrHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing PrHg12 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.44 Å) Pr–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2HgPb by Materials Project

Pr2HgPb 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 four equivalent Hg and four equivalent Pb atoms. All Pr–Hg bond lengths are 3.40 Å. All Pr–Pb bond lengths are 3.40 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgHgPd2 by Materials Project

Pd2AgHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Hg atoms. All Pd–Ag bond lengths are 2.83 Å. All Pd–Hg bond lengths are 2.83 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2SnHg by Materials Project

Pr2HgSn 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 four equivalent Hg and four equivalent Sn atoms. All Pr–Hg bond lengths are 3.36 Å. All Pr–Sn bond lengths are 3.36 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaHgAu2 by Materials Project

LaAu2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All La–Au bond lengths are 3.14 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Hg atoms. All Au–Hg bond lengths are 3.14 Å. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2HgBi by Materials Project

Pu2HgBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Bi atoms. All Pu–Hg bond lengths are 3.32 Å. All Pu–Bi bond lengths are 3.32 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pu atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Pu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac2HgGe by Materials Project

Ac2HgGe 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 Ge atoms. All Ac–Hg bond lengths are 3.44 Å. All Ac–Ge bond lengths are 3.44 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3Hg by Materials Project

Sc3Hg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Hg atoms to form distorted ScSc8Hg4 cuboctahedra that share corners with four equivalent HgSc12 cuboctahedra, corners with fourteen equivalent ScSc8Hg4 cuboctahedra, edges with six equivalent HgSc12 cuboctahedra, edges with twelve equivalent ScSc8Hg4 cuboctahedra, faces with four equivalent HgSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Hg4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.11–3.24 Å. There are two shorter (3.17 Å) and two longer (3.18 Å) Sc–Hg bond lengths. Hg is bonded to twelve equivalent Sc atoms to form HgSc12 cuboctahedra that share corners with six equivalent HgSc12 cuboctahedra, corners with twelve equivalent ScSc8Hg4 cuboctahedra, edges with eighteen equivalent ScSc8Hg4 cuboctahedra, faces with eight equivalent HgSc12 cuboctahedra, and faces with twelve equivalent ScSc8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcHgAu2 by Materials Project

AcAu2Hg 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 Au atoms. All Ac–Au bond lengths are 3.22 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Hg atoms. All Au–Hg bond lengths are 3.22 Å. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcHg3 by Materials Project

AcHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing AcHg12 cuboctahedra. There are six shorter (3.39 Å) and six longer (3.57 Å) Ac–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Ac atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaHg3 by Materials Project

LaHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing LaHg12 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.46 Å) La–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TcHg by Materials Project

Sc2TcHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Hg atoms. All Sc–Tc bond lengths are 2.92 Å. All Sc–Hg bond lengths are 2.92 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗