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At least 1,189 records · Page 66
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DOE OSTI2020

Materials Data on Ca2HgPb by Materials Project

Ca2HgPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Pb atoms. All Ca–Hg bond lengths are 3.35 Å. All Ca–Pb bond lengths are 3.35 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

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DOE OSTI2020

Materials Data on Ba2HgPb by Materials Project

Ba2HgPb 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 four equivalent Hg and four equivalent Pb atoms. All Ba–Hg bond lengths are 3.72 Å. All Ba–Pb bond lengths are 3.72 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

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Materials Data on Pm2SiHg by Materials Project

Pm2HgSi 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 four equivalent Hg and four equivalent Si atoms. All Pm–Hg bond lengths are 3.21 Å. All Pm–Si bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.

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DOE OSTI2020

Materials Data on Ca2SnHg by Materials Project

Ca2HgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Sn atoms. All Ca–Hg bond lengths are 3.33 Å. All Ca–Sn bond lengths are 3.33 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

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DOE OSTI2020

Materials Data on LiCa2Hg by Materials Project

LiCa2Hg 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 Ca atoms. All Li–Ca bond lengths are 3.31 Å. Ca is bonded to four equivalent Li and four equivalent Hg atoms to form a mixture of distorted face, edge, and corner-sharing CaLi4Hg4 tetrahedra. All Ca–Hg bond lengths are 3.31 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbHg3 by Materials Project

TbHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing TbHg12 cuboctahedra. There are six shorter (3.17 Å) and six longer (3.33 Å) Tb–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2HgSb by Materials Project

Pu2HgSb 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 Sb atoms. All Pu–Hg bond lengths are 3.27 Å. All Pu–Sb bond lengths are 3.27 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pu atoms. Sb is bonded in a body-centered cubic geometry to eight equivalent Pu atoms.

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DOE OSTI2020

Materials Data on HgPd by Materials Project

PdHg is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd is bonded in a 7-coordinate geometry to seven equivalent Hg atoms. There are a spread of Pd–Hg bond distances ranging from 2.83–2.87 Å. Hg is bonded in a 7-coordinate geometry to seven equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaHg3 by Materials Project

BaHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Hg atoms to form a mixture of distorted corner and face-sharing BaHg12 cuboctahedra. There are six shorter (3.58 Å) and six longer (3.72 Å) Ba–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Ba atoms.

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DOE OSTI2020

Materials Data on SmHg3 by Materials Project

SmHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing SmHg12 cuboctahedra. There are six shorter (3.21 Å) and six longer (3.39 Å) Sm–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3(AsO4)2 by Materials Project

Hg3(AsO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Hg–O bond distances ranging from 2.16–2.59 Å. In the second Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.91 Å. In the third Hg2+ site, Hg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.15–2.98 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. In the second As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Hg2+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Hg2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Hg2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one As5+ atom.

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Materials Data on Sm2InHg by Materials Project

Sm2HgIn 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 four equivalent Hg and four equivalent In atoms. All Sm–Hg bond lengths are 3.32 Å. All Sm–In bond lengths are 3.32 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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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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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.

36 MATERIALS SCIENCE↗
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.

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