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DOE OSTI2020

Materials Data on Gd2AlZn by Materials Project

Gd2ZnAl 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 Al atoms. All Gd–Zn bond lengths are 3.16 Å. All Gd–Al bond lengths are 3.16 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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Materials Data on Gd2AgRu by Materials Project

Gd2RuAg 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 Ag atoms. All Gd–Ru bond lengths are 3.07 Å. All Gd–Ag bond lengths are 3.07 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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Materials Data on Gd2RuRh by Materials Project

Gd2RuRh 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 Rh atoms. All Gd–Ru bond lengths are 2.99 Å. All Gd–Rh bond lengths are 2.99 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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Materials Data on Gd2AgAu by Materials Project

Gd2AuAg 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 Ag atoms. All Gd–Au bond lengths are 3.17 Å. All Gd–Ag bond lengths are 3.17 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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DOE OSTI2020

Materials Data on Gd2ZnGa by Materials Project

Gd2ZnGa 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 Ga atoms. All Gd–Zn bond lengths are 3.13 Å. All Gd–Ga bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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Materials Data on Gd2BiO2 by Materials Project

Gd2BiO2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent O atoms. All Gd–Bi bond lengths are 3.61 Å. All Gd–O bond lengths are 2.28 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. O is bonded to four equivalent Gd atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra.

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Materials Data on Gd6Zn23 by Materials Project

Gd6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Gd–Zn bond distances ranging from 3.13–3.27 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to three equivalent Gd and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.84 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.75 Å. In the third Zn site, Zn is bonded to four equivalent Gd and eight Zn atoms to form a mixture of face and corner-sharing ZnGd4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.81 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Gd and seven Zn atoms.

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DOE OSTI2020

Materials Data on Gd3Co4Sn13 by Materials Project

Gd3Co4Sn13 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 Sn atoms. All Gd–Co bond lengths are 3.51 Å. There are four shorter (3.45 Å) and eight longer (3.52 Å) Gd–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Sn atoms. All Co–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Gd, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.13–3.40 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on GdBiPd by Materials Project

GdPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing GdBi6Pd4 tetrahedra. All Gd–Pd bond lengths are 2.96 Å. All Gd–Bi bond lengths are 3.41 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.96 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Pd atoms.

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Materials Data on Gd6Fe23 by Materials Project

Gd6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Gd–Fe bond distances ranging from 2.85–3.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Gd and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.51 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.50 Å. In the third Fe site, Fe is bonded to four equivalent Gd and eight Fe atoms to form a mixture of face and corner-sharing FeGd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Gd and ten Fe atoms. All Fe–Fe bond lengths are 2.89 Å.

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Materials Data on LiGd2Rh by Materials Project

LiGd2Rh 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 3.06 Å. Gd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Gd–Rh bond lengths are 3.06 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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Materials Data on Gd2NiRu by Materials Project

Gd2RuNi 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 Ni atoms. All Gd–Ru bond lengths are 2.96 Å. All Gd–Ni bond lengths are 2.96 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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Materials Data on Gd2CdIn by Materials Project

Gd2CdIn 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 Cd and four equivalent In atoms. All Gd–Cd bond lengths are 3.26 Å. All Gd–In bond lengths are 3.26 Å. Cd 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.

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Materials Data on Gd2ZnAg by Materials Project

Gd2AgZn 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 Ag and four equivalent Zn atoms. All Gd–Ag bond lengths are 3.17 Å. All Gd–Zn bond lengths are 3.17 Å. Ag 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.

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Materials Data on Gd2MgCd by Materials Project

MgGd2Cd 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 Gd atoms. All Mg–Gd bond lengths are 3.27 Å. Gd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Gd–Cd bond lengths are 3.27 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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Materials Data on GdHo3 by Materials Project

Ho3Gd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Gd atoms to form HoGd4Ho8 cuboctahedra that share corners with twelve equivalent HoGd4Ho8 cuboctahedra, edges with eight equivalent GdHo12 cuboctahedra, edges with sixteen HoGd4Ho8 cuboctahedra, faces with four equivalent GdHo12 cuboctahedra, and faces with fourteen HoGd4Ho8 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.57 Å) Ho–Ho bond lengths. All Ho–Gd bond lengths are 3.57 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Gd atoms to form HoGd4Ho8 cuboctahedra that share corners with four equivalent HoGd4Ho8 cuboctahedra, corners with eight equivalent GdHo12 cuboctahedra, edges with twenty-four HoGd4Ho8 cuboctahedra, faces with six equivalent GdHo12 cuboctahedra, and faces with twelve HoGd4Ho8 cuboctahedra. All Ho–Gd bond lengths are 3.54 Å. Gd is bonded to twelve Ho atoms to form GdHo12 cuboctahedra that share corners with four equivalent GdHo12 cuboctahedra, corners with eight equivalent HoGd4Ho8 cuboctahedra, edges with eight equivalent GdHo12 cuboctahedra, edges with sixteen equivalent HoGd4Ho8 cuboctahedra, faces with four equivalent GdHo12 cuboctahedra, and faces with fourteen HoGd4Ho8 cuboctahedra.

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Materials Data on Li3GdBi2 by Materials Project

Li3GdBi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to six equivalent Li, two equivalent Gd, and six equivalent Bi atoms. All Li–Li bond lengths are 2.93 Å. Both Li–Gd bond lengths are 3.68 Å. All Li–Bi bond lengths are 3.29 Å. In the second Li site, Li is bonded to three equivalent Li and four equivalent Bi atoms to form distorted LiLi3Bi4 tetrahedra that share corners with three equivalent GdLi2Bi6 octahedra, corners with three equivalent LiLi3Bi4 tetrahedra, edges with three equivalent GdLi2Bi6 octahedra, edges with six equivalent LiLi3Bi4 tetrahedra, faces with three equivalent GdLi2Bi6 octahedra, and faces with three equivalent LiLi3Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. There are three shorter (2.81 Å) and one longer (2.96 Å) Li–Bi bond lengths. Gd is bonded to two equivalent Li and six equivalent Bi atoms to form GdLi2Bi6 octahedra that share corners with two equivalent GdLi2Bi6 octahedra, corners with six equivalent LiLi3Bi4 tetrahedra, edges with six equivalent GdLi2Bi6 octahedra, edges with six equivalent LiLi3Bi4 tetrahedra, and faces with six equivalent LiLi3Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Bi bond lengths are 3.27 Å. Bi is bonded in a 10-coordinate geometry to seven Li and three equivalent Gd atoms.

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Materials Data on Gd2AgHg by Materials Project

Gd2AgHg 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 Ag and four equivalent Hg atoms. All Gd–Ag bond lengths are 3.22 Å. All Gd–Hg bond lengths are 3.22 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

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