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At least 595 records · Page 33
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DOE OSTI2020

Materials Data on Gd3Ge13Ir4 by Materials Project

Gd3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Gd–Ir bond lengths are 3.21 Å. There are eight shorter (3.15 Å) and four longer (3.26 Å) Gd–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Gd, two equivalent Ir, and two Ge atoms. There are one shorter (2.65 Å) and one longer (3.09 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2ZnIn by Materials Project

Gd2ZnIn 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 Zn and four equivalent In atoms. All Gd–Zn bond lengths are 3.22 Å. All Gd–In bond lengths are 3.22 Å. Zn 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 GdNiAs by Materials Project

GdNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing GdNi6As6 cuboctahedra. All Gd–Ni bond lengths are 3.06 Å. All Gd–As bond lengths are 3.06 Å. Ni is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent As atoms. All Ni–As bond lengths are 2.36 Å. As is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd6Mn23 by Materials Project

Gd6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Mn atoms. There are four shorter (2.92 Å) and eight longer (3.08 Å) Gd–Mn bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Gd and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.49–2.67 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.51 Å. In the third Mn site, Mn is bonded to four equivalent Gd and eight Mn atoms to form a mixture of corner and face-sharing MnGd4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.68 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Gd and ten Mn atoms. All Mn–Mn bond lengths are 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdZnGa by Materials Project

GdZnGa 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 Zn and six equivalent Ga atoms to form a mixture of edge and face-sharing GdZn6Ga6 cuboctahedra. All Gd–Zn bond lengths are 3.15 Å. All Gd–Ga bond lengths are 3.15 Å. Zn is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.57 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2ZnHg by Materials Project

Gd2HgZn 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 Zn atoms. All Gd–Hg bond lengths are 3.19 Å. All Gd–Zn bond lengths are 3.19 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGdAl4 by Materials Project

GdLaAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Al atoms. All Gd–La bond lengths are 3.47 Å. All Gd–Al bond lengths are 3.32 Å. La is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Al atoms. All La–Al bond lengths are 3.32 Å. Al is bonded to three equivalent Gd, three equivalent La, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlLa3Gd3Al6 cuboctahedra. There are three shorter (2.83 Å) and three longer (2.84 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2Sc3Ge4 by Materials Project

Gd2Sc3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded to seven Ge atoms to form distorted GdGe7 pentagonal bipyramids that share corners with four equivalent ScGe6 octahedra, corners with six equivalent GdGe7 pentagonal bipyramids, edges with two equivalent GdGe7 pentagonal bipyramids, faces with two equivalent ScGe6 octahedra, and faces with three equivalent GdGe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Gd–Ge bond distances ranging from 2.96–3.21 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six Ge atoms to form ScGe6 octahedra that share corners with four equivalent ScGe6 octahedra, corners with eight equivalent GdGe7 pentagonal bipyramids, and faces with four equivalent GdGe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Sc–Ge bond distances ranging from 2.82–2.98 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.76–2.91 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Gd, four Sc, and one Ge atom. The Ge–Ge bond length is 2.78 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Gd, four Sc, and one Ge atom. The Ge–Ge bond length is 2.90 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Gd, six Sc, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSnGe by Materials Project

GdSnGe is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to four equivalent Sn and six equivalent Ge atoms. There are two shorter (3.28 Å) and two longer (3.36 Å) Gd–Sn bond lengths. There are four shorter (3.08 Å) and two longer (3.25 Å) Gd–Ge bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Gd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.00 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Gd and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3SnC by Materials Project

Gd3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Gd–Sn bond lengths are 3.50 Å. Both Gd–C bond lengths are 2.48 Å. Sn is bonded to twelve equivalent Gd atoms to form SnGd12 cuboctahedra that share corners with twelve equivalent SnGd12 cuboctahedra, faces with six equivalent SnGd12 cuboctahedra, and faces with eight equivalent CGd6 octahedra. C is bonded to six equivalent Gd atoms to form CGd6 octahedra that share corners with six equivalent CGd6 octahedra and faces with eight equivalent SnGd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3SiBr3 by Materials Project

Gd3SiBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Gd is bonded to two equivalent Si and four equivalent Br atoms to form a mixture of edge and corner-sharing GdSi2Br4 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. Both Gd–Si bond lengths are 2.81 Å. There are two shorter (3.02 Å) and two longer (3.12 Å) Gd–Br bond lengths. Si is bonded to six equivalent Gd atoms to form edge-sharing SiGd6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Co4Ge13 by Materials Project

Gd3Co4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Ge atoms. All Gd–Co bond lengths are 3.10 Å. All Gd–Ge bond lengths are 3.09 Å. Co is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ge atoms. All Co–Ge bond lengths are 2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Gd, two equivalent Co, and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.69–3.00 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CuRu by Materials Project

Gd2RuCu 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 Ru and four equivalent Cu atoms. All Gd–Ru bond lengths are 2.99 Å. All Gd–Cu bond lengths are 2.99 Å. Ru 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 Gd3Ge13Os4 by Materials Project

Gd3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Gd–Os bond lengths are 3.21 Å. There are eight shorter (3.18 Å) and four longer (3.25 Å) Gd–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ge atoms. All Os–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Gd, two equivalent Os, and two Ge atoms. There are one shorter (2.66 Å) and one longer (3.06 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdU3 by Materials Project

U3Gd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Gd atoms to form UGd4U8 cuboctahedra that share corners with twelve equivalent UGd4U8 cuboctahedra, edges with eight equivalent GdU12 cuboctahedra, edges with sixteen UGd4U8 cuboctahedra, faces with four equivalent GdU12 cuboctahedra, and faces with fourteen UGd4U8 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.25 Å) U–U bond lengths. All U–Gd bond lengths are 3.25 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Gd atoms to form distorted UGd4U8 cuboctahedra that share corners with four equivalent UGd4U8 cuboctahedra, corners with eight equivalent GdU12 cuboctahedra, edges with twenty-four UGd4U8 cuboctahedra, faces with six equivalent GdU12 cuboctahedra, and faces with twelve UGd4U8 cuboctahedra. All U–Gd bond lengths are 3.09 Å. Gd is bonded to twelve U atoms to form GdU12 cuboctahedra that share corners with four equivalent GdU12 cuboctahedra, corners with eight equivalent UGd4U8 cuboctahedra, edges with eight equivalent GdU12 cuboctahedra, edges with sixteen equivalent UGd4U8 cuboctahedra, faces with four equivalent GdU12 cuboctahedra, and faces with fourteen UGd4U8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdAlGe by Materials Project

GdAlGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Gd–Al bond lengths are 3.20 Å. There are a spread of Gd–Ge bond distances ranging from 2.99–3.09 Å. Al is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Ge atoms. All Al–Ge bond lengths are 2.74 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2Co2I by Materials Project

Gd2ICo2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to six equivalent Co and three equivalent I atoms. There are three shorter (2.89 Å) and three longer (2.92 Å) Gd–Co bond lengths. All Gd–I bond lengths are 3.41 Å. Co is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Co atoms. All Co–Co bond lengths are 2.29 Å. I is bonded in a 6-coordinate geometry to six equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdYAl4 by Materials Project

GdYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All Gd–Y bond lengths are 3.42 Å. All Gd–Al bond lengths are 3.27 Å. Y is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Al atoms. All Y–Al bond lengths are 3.27 Å. Al is bonded to three equivalent Gd, three equivalent Y, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlGd3Y3Al6 cuboctahedra. All Al–Al bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗