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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ge9Pd25 by Materials Project

Pd25Ge9 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are seven inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to one Pd and four Ge atoms. The Pd–Pd bond length is 2.84 Å. There are a spread of Pd–Ge bond distances ranging from 2.48–3.05 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to one Pd and three Ge atoms. The Pd–Pd bond length is 2.98 Å. There are a spread of Pd–Ge bond distances ranging from 2.56–2.67 Å. In the third Pd site, Pd is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge atoms. All Pd–Ge bond lengths are 2.55 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Ge atoms. All Pd–Pd bond lengths are 2.88 Å. There are three shorter (2.66 Å) and one longer (2.83 Å) Pd–Ge bond lengths. In the fifth Pd site, Pd is bonded in a 4-coordinate geometry to one Pd and four Ge atoms. The Pd–Pd bond length is 2.70 Å. There are three shorter (2.66 Å) and one longer (2.67 Å) Pd–Ge bond lengths. In the sixth Pd site, Pd is bonded in a distorted body-centered cubic geometry to eight Pd and six equivalent Ge atoms. All Pd–Pd bond lengths are 2.72 Å. All Pd–Ge bond lengths are 3.18 Å. In the seventh Pd site, Pd is bonded in a 3-coordinate geometry to two Pd and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to ten Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GePd2 by Materials Project

Pd2Ge crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (2.66 Å) and four longer (2.73 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing PdGe4 tetrahedra. There are two shorter (2.51 Å) and two longer (2.53 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge8Pd21 by Materials Project

Ge8Pd21 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.79 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.96 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.64 Å. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to three Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.58 Å. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.53–2.84 Å. In the sixth Pd site, Pd is bonded in a distorted tetrahedral geometry to four equivalent Ge atoms. All Pd–Ge bond lengths are 2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Pd by Materials Project

PdGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Ge atoms to form PdGe12 cuboctahedra that share corners with twelve equivalent PdGe12 cuboctahedra, edges with twenty-four equivalent GeGe8Pd4 cuboctahedra, faces with six equivalent PdGe12 cuboctahedra, and faces with twelve equivalent GeGe8Pd4 cuboctahedra. All Pd–Ge bond lengths are 2.93 Å. Ge is bonded to four equivalent Pd and eight equivalent Ge atoms to form GeGe8Pd4 cuboctahedra that share corners with twelve equivalent GeGe8Pd4 cuboctahedra, edges with eight equivalent PdGe12 cuboctahedra, edges with sixteen equivalent GeGe8Pd4 cuboctahedra, faces with four equivalent PdGe12 cuboctahedra, and faces with fourteen equivalent GeGe8Pd4 cuboctahedra. All Ge–Ge bond lengths are 2.93 Å.

36 MATERIALS SCIENCE↗