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At least 1,441 records · Page 80
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DOE OSTI2020

Materials Data on LiTlPd2 by Materials Project

LiPd2Tl is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to eight equivalent Pd and four equivalent Tl atoms to form LiTl4Pd8 cuboctahedra that share corners with four equivalent LiTl4Pd8 cuboctahedra, corners with eight equivalent TlLi4Pd8 cuboctahedra, edges with eight equivalent LiTl4Pd8 cuboctahedra, faces with four equivalent LiTl4Pd8 cuboctahedra, and faces with six equivalent TlLi4Pd8 cuboctahedra. All Li–Pd bond lengths are 2.83 Å. All Li–Tl bond lengths are 2.97 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Pd–Tl bond lengths are 2.83 Å. Tl is bonded to four equivalent Li and eight equivalent Pd atoms to form TlLi4Pd8 cuboctahedra that share corners with four equivalent TlLi4Pd8 cuboctahedra, corners with eight equivalent LiTl4Pd8 cuboctahedra, edges with eight equivalent TlLi4Pd8 cuboctahedra, faces with four equivalent TlLi4Pd8 cuboctahedra, and faces with six equivalent LiTl4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAlPd by Materials Project

TbPdAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to five equivalent Pd and six equivalent Al atoms. There are a spread of Tb–Pd bond distances ranging from 2.86–3.13 Å. There are a spread of Tb–Al bond distances ranging from 3.09–3.30 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.62–2.70 Å. Al is bonded in a 4-coordinate geometry to six equivalent Tb and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdAl3Pd2 by Materials Project

NdPd2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a distorted hexagonal planar geometry to six equivalent Pd and twelve equivalent Al atoms. All Nd–Pd bond lengths are 3.17 Å. All Nd–Al bond lengths are 3.47 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. All Pd–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to four equivalent Nd and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2Pd by Materials Project

LaMg2Pd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pd atoms. There are two shorter (2.82 Å) and one longer (2.87 Å) Mg–Pd bond lengths. La is bonded in a 3-coordinate geometry to three equivalent Pd atoms. There are one shorter (2.99 Å) and two longer (3.14 Å) La–Pd bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbZnPd by Materials Project

YbPdZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent Zn atoms. There are a spread of Yb–Pd bond distances ranging from 2.98–3.09 Å. There are a spread of Yb–Zn bond distances ranging from 3.10–3.27 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.62–2.67 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn3Pd2 by Materials Project

CePd2Zn3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. All Ce–Pd bond lengths are 3.08 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.68 Å. Zn is bonded in a 12-coordinate geometry to four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZnPd by Materials Project

CePdZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent Zn atoms. There are one shorter (2.91 Å) and four longer (3.08 Å) Ce–Pd bond lengths. There are a spread of Ce–Zn bond distances ranging from 3.11–3.37 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.70–2.74 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(GePd)2 by Materials Project

CePd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Ce–Pd bond lengths are 3.35 Å. All Ce–Ge bond lengths are 3.29 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu5SbPd2 by Materials Project

Lu5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted LuSb2Pd3 trigonal bipyramids that share corners with four equivalent LuSb2Pd4 octahedra, corners with twelve equivalent LuSb2Pd3 trigonal bipyramids, edges with seven equivalent LuSb2Pd3 trigonal bipyramids, faces with two equivalent LuSb2Pd4 octahedra, and a faceface with one LuSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are one shorter (2.94 Å) and two longer (2.95 Å) Lu–Pd bond lengths. Both Lu–Sb bond lengths are 3.20 Å. In the second Lu site, Lu is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted LuSb2Pd4 octahedra that share corners with six equivalent LuSb2Pd4 octahedra, corners with sixteen equivalent LuSb2Pd3 trigonal bipyramids, and faces with eight equivalent LuSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–48°. All Lu–Pd bond lengths are 2.93 Å. Both Lu–Sb bond lengths are 3.38 Å. Pd is bonded in a 8-coordinate geometry to eight Lu atoms. Sb is bonded in a 10-coordinate geometry to ten Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(GePd)2 by Materials Project

Ca(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Ca–Pd bond lengths are 3.35 Å. All Ca–Ge bond lengths are 3.34 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfAlPd2 by Materials Project

Pd2HfAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Hf–Pd bond lengths are 2.78 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Pd–Al bond lengths are 2.78 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScAlPd2 by Materials Project

ScPd2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.77 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Pd–Al bond lengths are 2.77 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSn2Pd by Materials Project

YbPdSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent Sn atoms. There are one shorter (3.04 Å) and two longer (3.35 Å) Yb–Pd bond lengths. There are a spread of Yb–Sn bond distances ranging from 3.23–3.59 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. There are four shorter (2.80 Å) and two longer (2.83 Å) Pd–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to five equivalent Yb and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2MgPd2 by Materials Project

Tb2Pd2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Pd atoms. All Mg–Pd bond lengths are 3.00 Å. Tb is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.89 Å) and four longer (3.02 Å) Tb–Pd bond lengths. Pd is bonded in a 8-coordinate geometry to two equivalent Mg and six equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Pd by Materials Project

Mg2Pd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent Pd atoms. There are two shorter (2.74 Å) and two longer (3.04 Å) Mg–Pd bond lengths. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.70 Å. Pd is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(SiPd)2 by Materials Project

Gd(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Gd–Pd bond lengths are 3.26 Å. All Gd–Si bond lengths are 3.19 Å. Pd is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PdGd4Si4 tetrahedra. All Pd–Si bond lengths are 2.48 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeBPd3 by Materials Project

CePd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Ce–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent CePd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuBPd3 by Materials Project

EuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Pd atoms to form EuPd12 cuboctahedra that share corners with twelve equivalent EuPd12 cuboctahedra, faces with six equivalent EuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Eu–Pd bond lengths are 3.09 Å. Pd is bonded to four equivalent Eu and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdEu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent EuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗