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At least 1,009 records · Page 56
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DOE OSTI2020

Materials Data on SrHgO3 by Materials Project

SrHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent HgO6 octahedra. All Sr–O bond lengths are 3.00 Å. Hg is bonded to six equivalent O atoms to form HgO6 octahedra that share corners with six equivalent HgO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–O bond lengths are 2.12 Å. O is bonded to four equivalent Sr and two equivalent Hg atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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DOE OSTI2020

Materials Data on Yb2HgBi by Materials Project

Yb2HgBi 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 four equivalent Hg and four equivalent Bi atoms. All Yb–Hg bond lengths are 3.36 Å. All Yb–Bi bond lengths are 3.36 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

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DOE OSTI2020

Materials Data on Zn3Hg by Materials Project

HgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Zn atoms to form a mixture of corner and face-sharing HgZn12 cuboctahedra. There are six shorter (2.91 Å) and six longer (2.94 Å) Hg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Hg and eight equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–3.09 Å.

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DOE OSTI2020

Materials Data on Tl3Hg by Materials Project

HgTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Tl atoms to form HgTl12 cuboctahedra that share corners with twelve equivalent HgTl12 cuboctahedra, edges with twenty-four equivalent TlTl8Hg4 cuboctahedra, faces with six equivalent HgTl12 cuboctahedra, and faces with twelve equivalent TlTl8Hg4 cuboctahedra. All Hg–Tl bond lengths are 3.48 Å. Tl is bonded to four equivalent Hg and eight equivalent Tl atoms to form distorted TlTl8Hg4 cuboctahedra that share corners with twelve equivalent TlTl8Hg4 cuboctahedra, edges with eight equivalent HgTl12 cuboctahedra, edges with sixteen equivalent TlTl8Hg4 cuboctahedra, faces with four equivalent HgTl12 cuboctahedra, and faces with fourteen equivalent TlTl8Hg4 cuboctahedra. All Tl–Tl bond lengths are 3.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2ZnHg by Materials Project

Tm2HgZn 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 four equivalent Hg and four equivalent Zn atoms. All Tm–Hg bond lengths are 3.13 Å. All Tm–Zn bond lengths are 3.13 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2InHg by Materials Project

Yb2HgIn 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 four equivalent Hg and four equivalent In atoms. All Yb–Hg bond lengths are 3.28 Å. All Yb–In bond lengths are 3.28 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. In is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2CdHg by Materials Project

Na2HgCd 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 four equivalent Hg and four equivalent Cd atoms. All Na–Hg bond lengths are 3.25 Å. All Na–Cd bond lengths are 3.25 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2MgHg by Materials Project

Li2MgHg 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 Mg and four equivalent Hg atoms. All Li–Mg bond lengths are 2.87 Å. All Li–Hg bond lengths are 2.87 Å. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2TlHg by Materials Project

La2HgTl 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 four equivalent Hg and four equivalent Tl atoms. All La–Hg bond lengths are 3.43 Å. All La–Tl bond lengths are 3.43 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent La atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent La atoms.

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DOE OSTI2020

Materials Data on Hg3As by Materials Project

Hg3As crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Hg3As sheets oriented in the (0, 0, 1) direction. Hg1+ is bonded in a distorted hexagonal planar geometry to four equivalent Hg1+ and two equivalent As3- atoms. All Hg–Hg bond lengths are 3.06 Å. Both Hg–As bond lengths are 3.06 Å. As3- is bonded in a hexagonal planar geometry to six equivalent Hg1+ atoms.

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DOE OSTI2020

Materials Data on HgI3 by Materials Project

HgI(I)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two HgI sheets oriented in the (0, 0, 1) direction and two I sheets oriented in the (0, 0, 1) direction. In each HgI sheet, Hg is bonded in a square co-planar geometry to four equivalent I atoms. All Hg–I bond lengths are 3.19 Å. I is bonded in a square co-planar geometry to four equivalent Hg atoms. In each I sheet, I is bonded in a square co-planar geometry to four equivalent I atoms. All I–I bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2MgHg by Materials Project

MgLu2Hg 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 Lu atoms. All Mg–Lu bond lengths are 3.18 Å. Lu is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Hg atoms. All Lu–Hg bond lengths are 3.18 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

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DOE OSTI2020

Materials Data on Ni3Hg by Materials Project

Ni3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Hg atoms to form NiNi8Hg4 cuboctahedra that share corners with twelve equivalent NiNi8Hg4 cuboctahedra, edges with eight equivalent HgNi12 cuboctahedra, edges with sixteen equivalent NiNi8Hg4 cuboctahedra, faces with four equivalent HgNi12 cuboctahedra, and faces with fourteen equivalent NiNi8Hg4 cuboctahedra. All Ni–Ni bond lengths are 2.65 Å. All Ni–Hg bond lengths are 2.65 Å. Hg is bonded to twelve equivalent Ni atoms to form HgNi12 cuboctahedra that share corners with twelve equivalent HgNi12 cuboctahedra, edges with twenty-four equivalent NiNi8Hg4 cuboctahedra, faces with six equivalent HgNi12 cuboctahedra, and faces with twelve equivalent NiNi8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2TlHg by Materials Project

Lu2HgTl 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 four equivalent Hg and four equivalent Tl atoms. All Lu–Hg bond lengths are 3.20 Å. All Lu–Tl bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2AgHg by Materials Project

Nd2AgHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Hg atoms. All Nd–Ag bond lengths are 3.29 Å. All Nd–Hg bond lengths are 3.29 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2HgAu by Materials Project

Rb2AuHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Hg atoms. All Rb–Au bond lengths are 3.74 Å. All Rb–Hg bond lengths are 3.74 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Hg by Materials Project

Ho3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Hg atoms to form distorted HoHo8Hg4 cuboctahedra that share corners with twelve equivalent HoHo8Hg4 cuboctahedra, edges with eight equivalent HgHo12 cuboctahedra, edges with sixteen equivalent HoHo8Hg4 cuboctahedra, faces with four equivalent HgHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Hg4 cuboctahedra. All Ho–Ho bond lengths are 3.38 Å. All Ho–Hg bond lengths are 3.38 Å. Hg is bonded to twelve equivalent Ho atoms to form HgHo12 cuboctahedra that share corners with twelve equivalent HgHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Hg4 cuboctahedra, faces with six equivalent HgHo12 cuboctahedra, and faces with twelve equivalent HoHo8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Hg by Materials Project

Mn3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to eight equivalent Mn and four equivalent Hg atoms to form distorted MnMn8Hg4 cuboctahedra that share corners with twelve equivalent MnMn8Hg4 cuboctahedra, edges with eight equivalent HgMn12 cuboctahedra, edges with sixteen equivalent MnMn8Hg4 cuboctahedra, faces with four equivalent HgMn12 cuboctahedra, and faces with fourteen equivalent MnMn8Hg4 cuboctahedra. All Mn–Mn bond lengths are 2.84 Å. All Mn–Hg bond lengths are 2.84 Å. Hg is bonded to twelve equivalent Mn atoms to form HgMn12 cuboctahedra that share corners with twelve equivalent HgMn12 cuboctahedra, edges with twenty-four equivalent MnMn8Hg4 cuboctahedra, faces with six equivalent HgMn12 cuboctahedra, and faces with twelve equivalent MnMn8Hg4 cuboctahedra.

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