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DOE OSTI2020

Materials Data on GdAlRh by Materials Project

GdRhAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Gd–Rh bond distances ranging from 2.86–3.05 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Al atoms. There are a spread of Rh–Al bond distances ranging from 2.61–2.71 Å. Al is bonded to four equivalent Rh atoms to form a mixture of distorted corner and edge-sharing AlRh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdAu2 by Materials Project

GdAu2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a distorted q6 geometry to ten equivalent Au atoms. There are two shorter (3.06 Å) and eight longer (3.08 Å) Gd–Au bond lengths. Au is bonded in a 10-coordinate geometry to five equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Si2BO10 by Materials Project

Gd3BSi2O10 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.70 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.59 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.61 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+, one B3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Gd3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Gd3+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdErRh2 by Materials Project

ErGdRh2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one ErGdRh2 ribbon oriented in the (-1, 1, 1) direction. Er is bonded in a distorted linear geometry to two equivalent Rh atoms. Both Er–Rh bond lengths are 2.10 Å. Gd is bonded in a distorted linear geometry to two equivalent Rh atoms. Both Gd–Rh bond lengths are 2.10 Å. Rh is bonded in a linear geometry to one Er and one Gd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGdS2 by Materials Project

GdSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent S atoms to form GdS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent GdS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Gd–S bond lengths are 2.80 Å. Sm is bonded to six equivalent S atoms to form SmS6 octahedra that share corners with six equivalent GdS6 octahedra, edges with six equivalent GdS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Sm–S bond lengths are 2.84 Å. S is bonded to three equivalent Gd and three equivalent Sm atoms to form a mixture of edge and corner-sharing SSm3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdTmCd2 by Materials Project

TmGdCd2 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 Cd atoms. All Tm–Cd bond lengths are 3.25 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Gd–Cd bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdTh3 by Materials Project

Th3Gd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Gd atoms to form ThGd4Th8 cuboctahedra that share corners with twelve equivalent ThGd4Th8 cuboctahedra, edges with eight equivalent GdTh12 cuboctahedra, edges with sixteen equivalent ThGd4Th8 cuboctahedra, faces with four equivalent GdTh12 cuboctahedra, and faces with fourteen equivalent ThGd4Th8 cuboctahedra. All Th–Th bond lengths are 3.67 Å. All Th–Gd bond lengths are 3.67 Å. Gd is bonded to twelve equivalent Th atoms to form GdTh12 cuboctahedra that share corners with twelve equivalent GdTh12 cuboctahedra, edges with twenty-four equivalent ThGd4Th8 cuboctahedra, faces with six equivalent GdTh12 cuboctahedra, and faces with twelve equivalent ThGd4Th8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdDyIn2 by Materials Project

DyGdIn2 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 In atoms. All Dy–In bond lengths are 3.36 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Gd–In bond lengths are 3.36 Å. In is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGdIn2 by Materials Project

LiGdIn2 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 In atoms. All Li–In bond lengths are 3.17 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Gd–In bond lengths are 3.17 Å. In is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGdZn2 by Materials Project

CaGdZn2 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 eight equivalent Zn atoms. All Ca–Zn bond lengths are 3.13 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Gd–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdErRu2 by Materials Project

ErGdRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Er–Ru bond lengths are 2.95 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Gd–Ru bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSnPt2 by Materials Project

GdPt2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Pt atoms. There are six shorter (3.03 Å) and two longer (3.14 Å) Gd–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to four equivalent Gd and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.77 Å. Sn is bonded to six equivalent Pt atoms to form distorted edge-sharing SnPt6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdThN2 by Materials Project

ThGdN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to six equivalent N atoms to form ThN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–N bond lengths are 2.55 Å. Gd is bonded to six equivalent N atoms to form GdN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–N bond lengths are 2.55 Å. N is bonded to three equivalent Th and three equivalent Gd atoms to form a mixture of edge and corner-sharing NGd3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdPaRu2 by Materials Project

PaGdRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pa–Ru bond lengths are 2.97 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Gd–Ru bond lengths are 2.97 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3AlN by Materials Project

(Gd3Al)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Gd3Al framework. In the Gd3Al framework, Gd is bonded in a linear geometry to two equivalent Al atoms. Both Gd–Al bond lengths are 2.74 Å. Al is bonded to six equivalent Gd atoms to form corner-sharing AlGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdZnRh by Materials Project

GdRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Gd–Rh bond distances ranging from 2.95–2.97 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.66–2.72 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCdPt2 by Materials Project

GdPt2Cd 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 eight equivalent Pt atoms. All Gd–Pt bond lengths are 2.96 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Cd atoms. All Pt–Cd bond lengths are 2.96 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGdAg2 by Materials Project

YbGdAg2 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 Ag atoms. All Yb–Ag bond lengths are 3.17 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Gd–Ag bond lengths are 3.17 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗