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At least 883 records · Page 49
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DOE OSTI2020

Materials Data on GdHoTl2 by Materials Project

HoGdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.30 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Gd–Tl bond lengths are 3.30 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdThO3 by Materials Project

ThGdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent O atoms to form ThO6 octahedra that share corners with six equivalent ThO6 octahedra and faces with eight equivalent GdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Th–O bond lengths are 2.29 Å. Gd is bonded to twelve equivalent O atoms to form GdO12 cuboctahedra that share corners with twelve equivalent GdO12 cuboctahedra, faces with six equivalent GdO12 cuboctahedra, and faces with eight equivalent ThO6 octahedra. All Gd–O bond lengths are 3.24 Å. O is bonded in a linear geometry to two equivalent Th and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdDyRh2 by Materials Project

DyGdRh2 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 Rh atoms. All Dy–Rh bond lengths are 2.98 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Gd–Rh bond lengths are 2.98 Å. Rh 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 Pm3Gd by Materials Project

GdPm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pm atoms to form GdPm12 cuboctahedra that share corners with twelve equivalent GdPm12 cuboctahedra, edges with twenty-four equivalent PmPm8Gd4 cuboctahedra, faces with six equivalent GdPm12 cuboctahedra, and faces with twelve equivalent PmPm8Gd4 cuboctahedra. All Gd–Pm bond lengths are 3.64 Å. Pm is bonded to four equivalent Gd and eight equivalent Pm atoms to form PmPm8Gd4 cuboctahedra that share corners with twelve equivalent PmPm8Gd4 cuboctahedra, edges with eight equivalent GdPm12 cuboctahedra, edges with sixteen equivalent PmPm8Gd4 cuboctahedra, faces with four equivalent GdPm12 cuboctahedra, and faces with fourteen equivalent PmPm8Gd4 cuboctahedra. All Pm–Pm bond lengths are 3.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdNp3 by Materials Project

Np3Gd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to eight equivalent Np and four equivalent Gd atoms to form NpGd4Np8 cuboctahedra that share corners with twelve equivalent NpGd4Np8 cuboctahedra, edges with eight equivalent GdNp12 cuboctahedra, edges with sixteen equivalent NpGd4Np8 cuboctahedra, faces with four equivalent GdNp12 cuboctahedra, and faces with fourteen equivalent NpGd4Np8 cuboctahedra. All Np–Np bond lengths are 3.26 Å. All Np–Gd bond lengths are 3.26 Å. Gd is bonded to twelve equivalent Np atoms to form GdNp12 cuboctahedra that share corners with twelve equivalent GdNp12 cuboctahedra, edges with twenty-four equivalent NpGd4Np8 cuboctahedra, faces with six equivalent GdNp12 cuboctahedra, and faces with twelve equivalent NpGd4Np8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3(BiO4)2 by Materials Project

Gd3(BiO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Gd–O bond distances ranging from 2.18–2.51 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 hexagonal pyramids that share a cornercorner with one BiO6 octahedra, edges with two equivalent GdO7 hexagonal pyramids, edges with two equivalent BiO6 octahedra, and edges with two equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Gd–O bond distances ranging from 2.38–2.44 Å. In the third Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share a cornercorner with one BiO6 octahedra, edges with two equivalent GdO7 hexagonal pyramids, edges with two equivalent BiO6 octahedra, and edges with two equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of Gd–O bond distances ranging from 2.34–2.44 Å. There are two inequivalent Bi+3.50+ sites. In the first Bi+3.50+ site, Bi+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.61 Å. In the second Bi+3.50+ site, Bi+3.50+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share a cornercorner with one GdO7 hexagonal pyramid, a cornercorner with one GdO7 pentagonal bipyramid, edges with two equivalent GdO7 hexagonal pyramids, edges with two equivalent BiO6 octahedra, and edges with two equivalent GdO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.23–2.41 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to three Gd3+ and one Bi+3.50+ atom to form distorted OGd3Bi trigonal pyramids that share corners with twelve OGd2Bi2 tetrahedra, corners with two equivalent OGd3Bi trigonal pyramids, edges with three OGd3Bi tetrahedra, and an edgeedge with one OGd3Bi trigonal pyramid. In the second O2- site, O2- is bonded to two Gd3+ and two equivalent Bi+3.50+ atoms to form OGd2Bi2 tetrahedra that share corners with seven OGd2Bi2 tetrahedra, corners with four OGd3Bi trigonal pyramids, edges with three OGd2Bi2 tetrahedra, and edges with two equivalent OGd3Bi trigonal pyramids. In the third O2- site, O2- is bonded to three Gd3+ and one Bi+3.50+ atom to form distorted OGd3Bi tetrahedra that share corners with seven OGd3Bi tetrahedra, corners with four OGd3Bi trigonal pyramids, edges with three OGdBi3 tetrahedra, and edges with two equivalent OGd3Bi trigonal pyramids. In the fourth O2- site, O2- is bonded to three Gd3+ and one Bi+3.50+ atom to form distorted OGd3Bi trigonal pyramids that share corners with twelve OGd2Bi2 tetrahedra, corners with two equivalent OGd3Bi trigonal pyramids, edges with three OGd3Bi tetrahedra, and an edgeedge with one OGd3Bi trigonal pyramid. In the fifth O2- site, O2- is bonded to one Gd3+ and three Bi+3.50+ atoms to form OGdBi3 tetrahedra that share corners with nine OGd2Bi2 tetrahedra, corners with four OGd3Bi trigonal pyramids, and edges with four OGd3Bi tetrahedra. In the sixth O2- site, O2- is bonded to three Gd3+ and one Bi+3.50+ atom to form OGd3Bi tetrahedra that share corners with nine OGd2Bi2 tetrahedra, corners with four OGd3Bi trigonal pyramids, edges with four OGdBi3 tetrahedra, and an edgeedge with one OGd3Bi trigonal pyramid. In the seventh O2- site, O2- is bonded to three Gd3+ and one Bi+3.50+ atom to form OGd3Bi tetrahedra that share corners with nine OGd2Bi2 tetrahedra, corners with four OGd3Bi trigonal pyramids, edges with four OGd3Bi tetrahedra, and an edgeedge with one OGd3Bi trigonal pyramid. In the eighth O2- site, O2- is bonded to two Gd3+ and two equivalent Bi+3.50+ atoms to form distorted OGd2Bi2 tetrahedra that share corners with nine OGd3Bi tetrahedra, corners with four OGd3Bi trigonal pyramids, and edges with four OGdBi3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdPb3 by Materials Project

GdPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing GdPb12 cuboctahedra. All Gd–Pb bond lengths are 3.48 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdYCu2 by Materials Project

GdYCu2 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 Cu atoms. All Gd–Cu bond lengths are 3.01 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Y–Cu bond lengths are 3.01 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGdTe2 by Materials Project

YbGdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent Te atoms to form YbTe6 octahedra that share corners with six equivalent GdTe6 octahedra, edges with six equivalent YbTe6 octahedra, and edges with six equivalent GdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Te bond lengths are 3.14 Å. Gd is bonded to six equivalent Te atoms to form GdTe6 octahedra that share corners with six equivalent YbTe6 octahedra, edges with six equivalent YbTe6 octahedra, and edges with six equivalent GdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Te bond lengths are 3.15 Å. Te is bonded to three equivalent Yb and three equivalent Gd atoms to form a mixture of corner and edge-sharing TeYb3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdBr by Materials Project

GdBr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two GdBr sheets oriented in the (0, 0, 1) direction. Gd is bonded in a 3-coordinate geometry to three equivalent Br atoms. All Gd–Br bond lengths are 2.96 Å. Br is bonded in a 3-coordinate geometry to three equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdYH4 by Materials Project

GdYH4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Gd–H bond lengths are 2.25 Å. Y is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Y–H bond lengths are 2.24 Å. H is bonded to two equivalent Gd and two equivalent Y atoms to form a mixture of corner and edge-sharing HGd2Y2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGdIr2 by Materials Project

TbGdIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 3.00 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Gd–Ir bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Gd by Materials Project

GdPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pr atoms to form GdPr12 cuboctahedra that share corners with six equivalent GdPr12 cuboctahedra, corners with twelve equivalent PrPr8Gd4 cuboctahedra, edges with eighteen equivalent PrPr8Gd4 cuboctahedra, faces with eight equivalent GdPr12 cuboctahedra, and faces with twelve equivalent PrPr8Gd4 cuboctahedra. There are six shorter (3.69 Å) and six longer (3.71 Å) Gd–Pr bond lengths. Pr is bonded to four equivalent Gd and eight equivalent Pr atoms to form PrPr8Gd4 cuboctahedra that share corners with four equivalent GdPr12 cuboctahedra, corners with fourteen equivalent PrPr8Gd4 cuboctahedra, edges with six equivalent GdPr12 cuboctahedra, edges with twelve equivalent PrPr8Gd4 cuboctahedra, faces with four equivalent GdPr12 cuboctahedra, and faces with sixteen equivalent PrPr8Gd4 cuboctahedra. There are two shorter (3.68 Å) and six longer (3.70 Å) Pr–Pr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGdRh2 by Materials Project

CaGdRh2 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 Rh atoms. All Ca–Rh bond lengths are 2.98 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Gd–Rh bond lengths are 2.98 Å. Rh 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 GdMgAg2 by Materials Project

GdAg2Mg 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 Ag atoms. All Mg–Ag bond lengths are 3.06 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Gd–Ag bond lengths are 3.06 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Ag by Materials Project

Gd3Ag is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a distorted see-saw-like geometry to four equivalent Ag atoms. There are two shorter (3.34 Å) and two longer (3.46 Å) Gd–Ag bond lengths. Ag is bonded to twelve equivalent Gd atoms to form a mixture of corner and face-sharing AgGd12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCdRh2 by Materials Project

GdRh2Cd 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 Rh atoms. All Gd–Rh bond lengths are 2.90 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Cd atoms. All Rh–Cd bond lengths are 2.90 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3ScS6 by Materials Project

Gd3ScS6 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven S2- atoms to form distorted GdS7 pentagonal bipyramids that share a cornercorner with one ScS6 octahedra, edges with two equivalent ScS6 octahedra, and edges with two equivalent GdS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Gd–S bond distances ranging from 2.72–2.89 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.77–3.15 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.81–2.98 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six S2- atoms to form ScS6 octahedra that share edges with two equivalent ScS6 octahedra and edges with four equivalent GdS7 pentagonal bipyramids. There are two shorter (2.56 Å) and four longer (2.58 Å) Sc–S bond lengths. In the second Sc3+ site, Sc3+ is bonded to six S2- atoms to form ScS6 octahedra that share corners with two equivalent GdS7 pentagonal bipyramids and edges with two equivalent ScS6 octahedra. There are two shorter (2.46 Å) and four longer (2.62 Å) Sc–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to three Gd3+ and one Sc3+ atom to form distorted SGd3Sc trigonal pyramids that share corners with two equivalent SGd4Sc square pyramids, corners with four SGd5 trigonal bipyramids, corners with three equivalent SGd3Sc trigonal pyramids, edges with two equivalent SGd3Sc2 trigonal bipyramids, and a faceface with one SGd5 trigonal bipyramid. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Gd3+ and two equivalent Sc3+ atoms. In the third S2- site, S2- is bonded to five Gd3+ atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent SGd4Sc square pyramids, corners with four equivalent SGd3Sc2 trigonal bipyramids, corners with two equivalent SGd3Sc trigonal pyramids, an edgeedge with one SGd4Sc square pyramid, edges with three SGd5 trigonal bipyramids, and a faceface with one SGd3Sc trigonal pyramid. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five Gd3+ atoms. In the fifth S2- site, S2- is bonded to three Gd3+ and two equivalent Sc3+ atoms to form distorted SGd3Sc2 trigonal bipyramids that share corners with two equivalent SGd4Sc square pyramids, corners with six SGd5 trigonal bipyramids, corners with two equivalent SGd3Sc trigonal pyramids, an edgeedge with one SGd4Sc square pyramid, edges with four SGd5 trigonal bipyramids, and edges with two equivalent SGd3Sc trigonal pyramids. In the sixth S2- site, S2- is bonded to four Gd3+ and one Sc3+ atom to form distorted SGd4Sc square pyramids that share a cornercorner with one SGd4Sc square pyramid, corners with six SGd5 trigonal bipyramids, corners with two equivalent SGd3Sc trigonal pyramids, edges with two equivalent SGd4Sc square pyramids, and edges with two SGd5 trigonal bipyramids.

36 MATERIALS SCIENCE↗