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DOE OSTI2020

Materials Data on TbYHg2 by Materials Project

TbYHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.24 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Y–Hg bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Y atoms.

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DOE OSTI2020

Materials Data on TbTmHg2 by Materials Project

TmTbHg2 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 3.21 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Tb atoms.

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DOE OSTI2020

Materials Data on TbLuHg2 by Materials Project

LuTbHg2 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. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tb atoms.

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DOE OSTI2020

Materials Data on YHgPd2 by Materials Project

YPd2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Hg atoms. All Y–Pd bond lengths are 2.95 Å. All Y–Hg bond lengths are 3.40 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Hg atoms. All Pd–Hg bond lengths are 2.95 Å. Hg is bonded in a distorted body-centered cubic geometry to six equivalent Y and eight equivalent Pd atoms.

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DOE OSTI2020

Materials Data on YbErHg2 by Materials Project

YbErHg2 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 3.21 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Er–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Er atoms.

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DOE OSTI2020

Materials Data on YbDyHg2 by Materials Project

YbDyHg2 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 3.23 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Dy–Hg bond lengths are 3.23 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Dy atoms.

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DOE OSTI2020

Materials Data on YTmHg2 by Materials Project

TmYHg2 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 3.21 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Y–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Y atoms.

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DOE OSTI2020

Materials Data on SrTlHg2 by Materials Project

SrHg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent Tl atoms. All Sr–Hg bond lengths are 3.36 Å. All Sr–Tl bond lengths are 3.88 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.36 Å. Tl is bonded in a distorted body-centered cubic geometry to six equivalent Sr and eight equivalent Hg atoms.

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DOE OSTI2020

Materials Data on ZrCu2Hg by Materials Project

ZrCu2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent Hg atoms. All Zr–Cu bond lengths are 2.78 Å. All Zr–Hg bond lengths are 3.21 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Hg atoms. All Cu–Hg bond lengths are 2.78 Å. Hg is bonded in a 8-coordinate geometry to six equivalent Zr and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PmSmHg2 by Materials Project

SmPmHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sm–Hg bond lengths are 3.30 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pm–Hg bond lengths are 3.30 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Pm atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PmDyHg2 by Materials Project

DyPmHg2 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 3.27 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pm–Hg bond lengths are 3.27 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.

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DOE OSTI2020

Materials Data on CaSnHg by Materials Project

CaHgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Hg and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.73 Å) Ca–Hg bond lengths. There are three shorter (3.28 Å) and three longer (3.62 Å) Ca–Sn bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Sn atoms. There are three shorter (2.94 Å) and one longer (3.13 Å) Hg–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Hg atoms.

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DOE OSTI2020

Materials Data on EuHgPb by Materials Project

EuHgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Hg and six equivalent Pb atoms. There are three shorter (3.33 Å) and three longer (3.85 Å) Eu–Hg bond lengths. There are three shorter (3.41 Å) and three longer (3.74 Å) Eu–Pb bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Pb atoms. There are three shorter (3.04 Å) and one longer (3.28 Å) Hg–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Hg atoms.

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DOE OSTI2020

Materials Data on EuSnHg by Materials Project

EuHgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Hg and six equivalent Sn atoms. There are three shorter (3.27 Å) and three longer (3.74 Å) Eu–Hg bond lengths. There are three shorter (3.33 Å) and three longer (3.66 Å) Eu–Sn bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Sn atoms. There are three shorter (2.96 Å) and one longer (3.23 Å) Hg–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Hg atoms.

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DOE OSTI2020

Materials Data on CaSnHg by Materials Project

CaHgSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc 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 3.46 Å. All Ca–Sn bond lengths are 3.46 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Sn atoms. All Hg–Sn bond lengths are 2.84 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Hg atoms.

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DOE OSTI2020

Materials Data on SrHgPb by Materials Project

SrHgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to six equivalent Hg and six equivalent Pb atoms. There are three shorter (3.36 Å) and three longer (3.92 Å) Sr–Hg bond lengths. There are three shorter (3.46 Å) and three longer (3.79 Å) Sr–Pb bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Sr and four equivalent Pb atoms. There are three shorter (3.06 Å) and one longer (3.37 Å) Hg–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Sr and four equivalent Hg atoms.

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DOE OSTI2020

Materials Data on SrSnHg by Materials Project

SrHgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to six equivalent Hg and six equivalent Sn atoms. There are three shorter (3.34 Å) and three longer (3.81 Å) Sr–Hg bond lengths. There are three shorter (3.41 Å) and three longer (3.72 Å) Sr–Sn bond lengths. Hg is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Sn atoms. All Hg–Sn bond lengths are 2.97 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Hg atoms.

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DOE OSTI2020

Materials Data on HgPPd5 by Materials Project

Pd5HgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd, two equivalent Hg, and two equivalent P atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–2.94 Å. Both Pd–Hg bond lengths are 2.94 Å. Both Pd–P bond lengths are 2.43 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Hg atoms to form distorted PdHg4Pd8 cuboctahedra that share corners with four equivalent PdHg4Pd8 cuboctahedra, faces with four equivalent PdHg4Pd8 cuboctahedra, and faces with four equivalent HgPd12 cuboctahedra. All Pd–Hg bond lengths are 2.82 Å. Hg is bonded to twelve Pd atoms to form HgPd12 cuboctahedra that share corners with four equivalent HgPd12 cuboctahedra, faces with four equivalent PdHg4Pd8 cuboctahedra, and faces with four equivalent HgPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

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