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At least 487 records · Page 27
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DOE OSTI2020

Materials Data on GdSnAu by Materials Project

GdAuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded to four equivalent Au and six equivalent Sn atoms to form a mixture of distorted corner and face-sharing GdSn6Au4 tetrahedra. All Gd–Au bond lengths are 2.95 Å. All Gd–Sn bond lengths are 3.40 Å. Au is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Sn atoms. All Au–Sn bond lengths are 2.95 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Gd and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdMg3 by Materials Project

Mg3Gd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Gd atoms. All Mg–Mg bond lengths are 3.15 Å. All Mg–Gd bond lengths are 3.15 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Gd atoms. All Mg–Gd bond lengths are 3.64 Å. Gd is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdMnSi by Materials Project

GdMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 5-coordinate geometry to four equivalent Mn and five equivalent Si atoms. All Gd–Mn bond lengths are 3.11 Å. There are four shorter (2.95 Å) and one longer (3.37 Å) Gd–Si bond lengths. Mn is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted edge and face-sharing MnGd4Si4 tetrahedra. All Mn–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2InPd2 by Materials Project

Gd2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (3.04 Å) Gd–Pd bond lengths. All Gd–In bond lengths are 3.44 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Gd, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–In bond lengths are 3.06 Å. In is bonded to eight equivalent Gd and four equivalent Pd atoms to form a mixture of face and corner-sharing InGd8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2AlGe2 by Materials Project

Gd2AlGe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to two equivalent Al and six equivalent Ge atoms. There are one shorter (3.25 Å) and one longer (3.28 Å) Gd–Al bond lengths. There are a spread of Gd–Ge bond distances ranging from 3.06–3.15 Å. Al is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Ge atoms. There are two shorter (2.66 Å) and two longer (2.71 Å) Al–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Gd, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSbPd by Materials Project

GdPdSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sb atoms. There are three shorter (2.98 Å) and three longer (3.62 Å) Gd–Pd bond lengths. There are three shorter (3.17 Å) and three longer (3.37 Å) Gd–Sb bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Sb atoms. There are three shorter (2.77 Å) and one longer (3.03 Å) Pd–Sb bond lengths. Sb is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCuSn by Materials Project

GdCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.97 Å) and three longer (3.49 Å) Gd–Cu bond lengths. There are three shorter (3.13 Å) and three longer (3.29 Å) Gd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Sn atoms. There are three shorter (2.70 Å) and one longer (3.07 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdAl7Au3 by Materials Project

GdAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Gd–Au bond lengths are 3.27 Å. There are six shorter (3.32 Å) and six longer (3.38 Å) Gd–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Gd and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.60–2.68 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Gd and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3CCl3 by Materials Project

Gd3Cl3C is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Gd is bonded to two equivalent C and four equivalent Cl atoms to form a mixture of edge and corner-sharing GdC2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. Both Gd–C bond lengths are 2.52 Å. There are two shorter (2.80 Å) and two longer (2.91 Å) Gd–Cl bond lengths. C is bonded to six equivalent Gd atoms to form edge-sharing CGd6 octahedra. Cl is bonded in a rectangular see-saw-like geometry to four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CBr by Materials Project

Gd2CBr is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to three equivalent C and three equivalent Br atoms to form a mixture of distorted corner, edge, and face-sharing GdC3Br3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. All Gd–C bond lengths are 2.51 Å. All Gd–Br bond lengths are 3.15 Å. C is bonded to six equivalent Gd atoms to form edge-sharing CGd6 octahedra. Br is bonded in a 6-coordinate geometry to six equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CCl by Materials Project

Gd2CCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to three equivalent C and three equivalent Cl atoms to form a mixture of corner and edge-sharing GdC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–C bond lengths are 2.50 Å. All Gd–Cl bond lengths are 3.02 Å. C is bonded to six equivalent Gd atoms to form CGd6 octahedra that share corners with six equivalent ClGd6 octahedra, edges with six equivalent CGd6 octahedra, and edges with six equivalent ClGd6 octahedra. The corner-sharing octahedral tilt angles are 14°. Cl is bonded to six equivalent Gd atoms to form distorted ClGd6 octahedra that share corners with six equivalent CGd6 octahedra, edges with six equivalent CGd6 octahedra, and edges with six equivalent ClGd6 octahedra. The corner-sharing octahedral tilt angles are 14°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CI by Materials Project

Gd2CI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to three equivalent C and three equivalent I atoms. All Gd–C bond lengths are 2.55 Å. All Gd–I bond lengths are 3.31 Å. C is bonded to six equivalent Gd atoms to form edge-sharing CGd6 octahedra. I is bonded in a 6-coordinate geometry to six equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CdPd2 by Materials Project

Gd2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.89 Å) and four longer (3.03 Å) Gd–Pd bond lengths. All Gd–Cd bond lengths are 3.45 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Gd, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.84 Å. Both Pd–Cd bond lengths are 3.06 Å. Cd is bonded to eight equivalent Gd and four equivalent Pd atoms to form a mixture of corner and face-sharing CdGd8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdNiBi by Materials Project

GdNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Gd–Ni bond lengths are 2.83 Å. All Gd–Bi bond lengths are 3.27 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.83 Å. Bi is bonded in a distorted q6 geometry to six equivalent Gd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2Fe2I by Materials Project

Gd2IFe2 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 Fe and three equivalent I atoms. There are three shorter (2.88 Å) and three longer (3.00 Å) Gd–Fe bond lengths. All Gd–I bond lengths are 3.40 Å. Fe is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Fe atoms. All Fe–Fe bond lengths are 2.30 Å. I is bonded in a 6-coordinate geometry to six equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdNiSb by Materials Project

GdNiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sb atoms. All Gd–Ni bond lengths are 2.77 Å. All Gd–Sb bond lengths are 3.20 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.77 Å. Sb is bonded in a distorted q6 geometry to six equivalent Gd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3(AlNi3)2 by Materials Project

Gd3Ni6Al2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.81 Å) and four longer (3.01 Å) Gd–Ni bond lengths. All Gd–Al bond lengths are 3.19 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Gd, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.59 Å. Both Ni–Al bond lengths are 2.48 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Gd and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3AlC by Materials Project

Gd3AlC 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 Al and two equivalent C atoms. All Gd–Al bond lengths are 3.49 Å. Both Gd–C bond lengths are 2.47 Å. Al is bonded to twelve equivalent Gd atoms to form AlGd12 cuboctahedra that share corners with twelve equivalent AlGd12 cuboctahedra, faces with six equivalent AlGd12 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 AlGd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗