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At least 577 records · Page 32
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DOE OSTI2020

Materials Data on Gd2Sc3Si4 by Materials Project

Gd2Sc3Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 2.90–3.25 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six Si atoms to form distorted corner-sharing ScSi6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of Sc–Si bond distances ranging from 2.74–2.94 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Sc–Si bond distances ranging from 2.69–2.80 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to two equivalent Gd, six Sc, and one Si atom. The Si–Si bond length is 2.48 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Gd, four Sc, and one Si atom. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Gd, four Sc, and one Si atom. The Si–Si bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdNO5 by Materials Project

GdNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one GdNO5 sheet oriented in the (0, 0, 1) direction. Gd is bonded to seven O atoms to form distorted edge-sharing GdO7 hexagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.30–2.44 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Gd and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdB4 by Materials Project

GdB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to eighteen B atoms. There are a spread of Gd–B bond distances ranging from 2.74–3.08 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Gd and five B atoms. There are a spread of B–B bond distances ranging from 1.73–1.82 Å. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Gd and five B atoms. The B–B bond length is 1.65 Å. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent Gd and three B atoms. The B–B bond length is 1.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSnPd by Materials Project

GdPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 1-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Gd–Pd bond distances ranging from 3.10–3.55 Å. There are a spread of Gd–Sn bond distances ranging from 3.23–3.36 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.72–2.90 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2MgRu by Materials Project

MgGd2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Gd atoms. All Mg–Gd bond lengths are 3.11 Å. Gd is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ru atoms. All Gd–Ru bond lengths are 3.11 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2GeBr2 by Materials Project

Gd2GeBr2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Gd2GeBr2 sheet oriented in the (0, 0, 1) direction. Gd is bonded to three equivalent Ge and three equivalent Br atoms to form a mixture of edge and corner-sharing GdGe3Br3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Ge bond lengths are 2.92 Å. All Gd–Br bond lengths are 3.00 Å. Ge is bonded to six equivalent Gd atoms to form edge-sharing GeGd6 octahedra. Br is bonded in a distorted T-shaped geometry to three equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CuAu by Materials Project

Gd2AuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cu atoms. All Gd–Au bond lengths are 3.11 Å. All Gd–Cu bond lengths are 3.11 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSiPt2 by Materials Project

GdPt2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to ten equivalent Pt and three equivalent Si atoms. There are a spread of Gd–Pt bond distances ranging from 2.99–3.55 Å. There are a spread of Gd–Si bond distances ranging from 3.01–3.04 Å. Pt is bonded in a 12-coordinate geometry to five equivalent Gd, four equivalent Pt, and three equivalent Si atoms. There are a spread of Pt–Pt bond distances ranging from 2.77–3.08 Å. There are a spread of Pt–Si bond distances ranging from 2.50–2.65 Å. Si is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdAlSi by Materials Project

GdAlSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Gd is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing GdAl6Si6 cuboctahedra. There are four shorter (3.17 Å) and two longer (3.19 Å) Gd–Al bond lengths. There are four shorter (3.17 Å) and two longer (3.20 Å) Gd–Si bond lengths. Al is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Si atoms. There are one shorter (2.40 Å) and two longer (2.41 Å) Al–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2IrAu by Materials Project

Gd2IrAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Au atoms. All Gd–Ir bond lengths are 3.07 Å. All Gd–Au bond lengths are 3.07 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdUAl4 by Materials Project

UGdAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Al atoms. All U–Gd bond lengths are 3.39 Å. All U–Al bond lengths are 3.25 Å. Gd is bonded in a 12-coordinate geometry to four equivalent U and twelve equivalent Al atoms. All Gd–Al bond lengths are 3.25 Å. Al is bonded to three equivalent U, three equivalent Gd, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlGd3U3Al6 cuboctahedra. There are three shorter (2.76 Å) and three longer (2.78 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2InHg by Materials Project

Gd2HgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent In atoms. All Gd–Hg bond lengths are 3.18 Å. All Gd–In bond lengths are 3.18 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. In is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdPPd by Materials Project

GdPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing GdP6Pd6 cuboctahedra. All Gd–Pd bond lengths are 3.08 Å. All Gd–P bond lengths are 3.08 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent P atoms. All Pd–P bond lengths are 2.43 Å. P is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdGaI by Materials Project

GdGaI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one GdGaI sheet oriented in the (0, 0, 1) direction. Gd is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted face and edge-sharing GdGa6I3 octahedra. There are three shorter (2.99 Å) and three longer (3.43 Å) Gd–Ga bond lengths. All Gd–I bond lengths are 3.18 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Gd and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. I is bonded in a distorted T-shaped geometry to three equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CdHg by Materials Project

Gd2HgCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Cd atoms. All Gd–Hg bond lengths are 3.25 Å. All Gd–Cd bond lengths are 3.25 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGd2Tl by Materials Project

LiGd2Tl 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 Gd atoms. All Li–Gd bond lengths are 3.28 Å. Gd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Gd–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3BBr3 by Materials Project

Gd3BBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Gd is bonded to two equivalent B and four equivalent Br atoms to form a mixture of corner and edge-sharing GdB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. Both Gd–B bond lengths are 2.63 Å. There are two shorter (2.97 Å) and two longer (3.09 Å) Gd–Br bond lengths. B is bonded to six equivalent Gd atoms to form edge-sharing BGd6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdGaPd2 by Materials Project

GdPd2Ga is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Gd–Pd bond distances ranging from 3.07–3.30 Å. There are a spread of Gd–Ga bond distances ranging from 3.07–3.11 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Gd and three equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.66 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗