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DOE OSTI2020

Materials Data on Pd3I by Materials Project

Pd3I is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent I atoms to form distorted PdPd8I4 cuboctahedra that share corners with twelve equivalent PdPd8I4 cuboctahedra, edges with eight equivalent IPd12 cuboctahedra, edges with sixteen PdPd8I4 cuboctahedra, faces with four equivalent IPd12 cuboctahedra, and faces with fourteen PdPd8I4 cuboctahedra. There are four shorter (2.89 Å) and four longer (3.04 Å) Pd–Pd bond lengths. All Pd–I bond lengths are 2.89 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent I atoms to form PdPd8I4 cuboctahedra that share corners with four equivalent PdPd8I4 cuboctahedra, corners with eight equivalent IPd12 cuboctahedra, edges with twenty-four PdPd8I4 cuboctahedra, faces with six equivalent IPd12 cuboctahedra, and faces with twelve PdPd8I4 cuboctahedra. All Pd–I bond lengths are 3.04 Å. I is bonded to twelve Pd atoms to form IPd12 cuboctahedra that share corners with four equivalent IPd12 cuboctahedra, corners with eight equivalent PdPd8I4 cuboctahedra, edges with eight equivalent IPd12 cuboctahedra, edges with sixteen equivalent PdPd8I4 cuboctahedra, faces with four equivalent IPd12 cuboctahedra, and faces with fourteen PdPd8I4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3(Si3Pd10)2 by Materials Project

Dy3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Dy–Pd bond lengths are 2.85 Å. In the second Dy site, Dy is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Dy–Pd bond lengths are 3.01 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Dy and three equivalent Si atoms to form a mixture of edge and corner-sharing PdDySi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Dy and two equivalent Si atoms. Both Pd–Si bond lengths are 2.43 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Pd4 by Materials Project

Lu3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Lu–Pd bond distances ranging from 2.83–3.26 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Lu atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Lu atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Lu and three equivalent Pd atoms. There are one shorter (2.89 Å) and two longer (2.95 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Pd4 by Materials Project

Ho3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Ho–Pd bond distances ranging from 2.86–3.30 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Ho atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Ho atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Ho and three equivalent Pd atoms. There are one shorter (2.90 Å) and two longer (2.98 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3(Si3Pd10)2 by Materials Project

Yb3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Yb–Pd bond lengths are 2.83 Å. In the second Yb site, Yb is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Yb–Pd bond lengths are 2.98 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Yb and three equivalent Si atoms to form a mixture of edge and corner-sharing PdYbSi3 tetrahedra. All Pd–Si bond lengths are 2.47 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Yb and two equivalent Si atoms. Both Pd–Si bond lengths are 2.43 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPd3 by Materials Project

Pd3Ga is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Pd and four equivalent Ga atoms. All Pd–Pd bond lengths are 2.70 Å. All Pd–Ga bond lengths are 2.70 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to eight equivalent Pd and six equivalent Ga atoms. All Pd–Ga bond lengths are 3.12 Å. Ga is bonded in a distorted body-centered cubic geometry to fourteen Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Pd4 by Materials Project

Ce3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.91–3.34 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Ce atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Ce atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Ce and three equivalent Pd atoms. There are one shorter (2.92 Å) and two longer (3.02 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(Si3Pd10)2 by Materials Project

Tm3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Tm–Pd bond lengths are 2.82 Å. In the second Tm site, Tm is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Tm–Pd bond lengths are 2.99 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Tm and three equivalent Si atoms to form a mixture of corner and edge-sharing PdTmSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Tm and two equivalent Si atoms. Both Pd–Si bond lengths are 2.42 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPd5O6 by Materials Project

LiPd5O6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded to six O atoms to form distorted LiO6 octahedra that share corners with two equivalent PdO6 octahedra and edges with eight PdO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are four shorter (2.32 Å) and two longer (2.62 Å) Li–O bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to six O atoms to form PdO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent PdO6 octahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent PdO6 octahedra. The corner-sharing octahedra tilt angles range from 12–20°. There are four shorter (2.17 Å) and two longer (2.29 Å) Pd–O bond lengths. In the second Pd site, Pd is bonded to six O atoms to form distorted PdO6 octahedra that share corners with two equivalent PdO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with five PdO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Pd–O bond distances ranging from 2.05–2.41 Å. In the third Pd site, Pd is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.08 Å) and two longer (2.13 Å) Pd–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to one Li and five Pd atoms to form distorted OLiPd5 octahedra that share corners with two equivalent OLiPd5 octahedra, corners with eight equivalent OLiPd4 square pyramids, edges with two equivalent OLiPd5 octahedra, and edges with six equivalent OLiPd4 square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O site, O is bonded to one Li and four Pd atoms to form distorted OLiPd4 square pyramids that share corners with four equivalent OLiPd5 octahedra, corners with five equivalent OLiPd4 square pyramids, edges with three equivalent OLiPd5 octahedra, and edges with four equivalent OLiPd4 square pyramids. The corner-sharing octahedra tilt angles range from 14–84°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(Si3Pd10)2 by Materials Project

Er3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Er–Pd bond lengths are 3.01 Å. In the second Er site, Er is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Er–Pd bond lengths are 2.85 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to one Er and two equivalent Si atoms. Both Pd–Si bond lengths are 2.42 Å. In the second Pd site, Pd is bonded to one Er and three equivalent Si atoms to form a mixture of edge and corner-sharing PdErSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPd3 by Materials Project

Pd3Cd is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, corners with fourteen equivalent PdCd4Pd8 cuboctahedra, edges with six equivalent CdPd12 cuboctahedra, edges with twelve PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with sixteen PdCd4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.83–2.90 Å. There are two shorter (2.86 Å) and two longer (2.87 Å) Pd–Cd bond lengths. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, corners with fourteen PdCd4Pd8 cuboctahedra, edges with six equivalent CdPd12 cuboctahedra, edges with twelve equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with sixteen PdCd4Pd8 cuboctahedra. There are two shorter (2.86 Å) and two longer (2.87 Å) Pd–Cd bond lengths. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with six equivalent CdPd12 cuboctahedra, corners with twelve PdCd4Pd8 cuboctahedra, edges with eighteen PdCd4Pd8 cuboctahedra, faces with eight equivalent CdPd12 cuboctahedra, and faces with twelve PdCd4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPd3 by Materials Project

Pd3In crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to four equivalent Pd and four equivalent In atoms. All Pd–Pd bond lengths are 2.80 Å. All Pd–In bond lengths are 2.80 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to eight equivalent Pd and two equivalent In atoms. Both Pd–In bond lengths are 2.95 Å. In is bonded in a 10-coordinate geometry to ten Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2Te4Pd3 by Materials Project

Pd3Sb2Te4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.73–2.78 Å. In the second Pd2+ site, Pd2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.74–2.78 Å. In the third Pd2+ site, Pd2+ is bonded to five Te2- atoms to form corner-sharing PdTe5 square pyramids. There are a spread of Pd–Te bond distances ranging from 2.73–2.80 Å. In the fourth Pd2+ site, Pd2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.74–2.78 Å. In the fifth Pd2+ site, Pd2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.74–2.79 Å. In the sixth Pd2+ site, Pd2+ is bonded to five Te2- atoms to form corner-sharing PdTe5 square pyramids. There are a spread of Pd–Te bond distances ranging from 2.74–2.79 Å. In the seventh Pd2+ site, Pd2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.74–2.79 Å. In the eighth Pd2+ site, Pd2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.73–2.79 Å. In the ninth Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.73–2.79 Å. In the tenth Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Pd–Te bond distances ranging from 2.74–2.79 Å. In the eleventh Pd2+ site, Pd2+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are one shorter (2.77 Å) and two longer (2.78 Å) Pd–Te bond lengths. In the twelfth Pd2+ site, Pd2+ is bonded in a distorted T-shaped geometry to three Te2- atoms. There are one shorter (2.77 Å) and two longer (2.78 Å) Pd–Te bond lengths. There are eight inequivalent Sb1+ sites. In the first Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.92 Å. In the second Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.91 Å. In the third Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.92 Å. In the fourth Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.92 Å. In the fifth Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.92 Å. In the sixth Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.91 Å. In the seventh Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.93 Å. In the eighth Sb1+ site, Sb1+ is bonded in a single-bond geometry to one Te2- atom. The Sb–Te bond length is 2.92 Å. There are sixteen inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom. The Te–Te bond length is 2.97 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom. The Te–Te bond length is 2.98 Å. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom. The Te–Te bond length is 2.99 Å. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom. The Te–Te bond length is 3.00 Å. In the fifth Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 trigonal pyramids. In the sixth Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 trigonal pyramids. In the seventh Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 trigonal pyramids. In the eighth Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 trigonal pyramids. In the ninth Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 trigonal pyramids. In the tenth Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 trigonal pyramids. In the eleventh Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 trigonal pyramids. In the twelfth Te2- site, Te2- is bonded to three Pd2+ and one Sb1+ atom to form distorted corner-sharing TeSbPd3 tetrahedra. In the thirteenth Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom. In the fourteenth Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom. In the fifteenth Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom. In the sixteenth Te2- site, Te2- is bonded in a 4-coordinate geometry to three Pd2+ and one Te2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Pd4 by Materials Project

Pd4Nd3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Nd–Pd bond distances ranging from 2.95–3.41 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Nd atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Nd atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Nd and three equivalent Pd atoms. There are one shorter (2.96 Å) and two longer (3.06 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(Si3Pd10)2 by Materials Project

Ho3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ho–Pd bond lengths are 2.83 Å. In the second Ho site, Ho is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ho–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ho and three equivalent Si atoms to form a mixture of corner and edge-sharing PdHoSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ho and two equivalent Si atoms. Both Pd–Si bond lengths are 2.43 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgPd3 by Materials Project

Pd3Hg is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Hg atoms to form PdHg4Pd8 cuboctahedra that share corners with twelve equivalent PdHg4Pd8 cuboctahedra, edges with eight equivalent HgPd12 cuboctahedra, edges with sixteen PdHg4Pd8 cuboctahedra, faces with four equivalent HgPd12 cuboctahedra, and faces with fourteen PdHg4Pd8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.89 Å) Pd–Pd bond lengths. All Pd–Hg bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Hg atoms to form PdHg4Pd8 cuboctahedra that share corners with four equivalent PdHg4Pd8 cuboctahedra, corners with eight equivalent HgPd12 cuboctahedra, edges with twenty-four PdHg4Pd8 cuboctahedra, faces with six equivalent HgPd12 cuboctahedra, and faces with twelve PdHg4Pd8 cuboctahedra. All Pd–Hg bond lengths are 2.89 Å. Hg is bonded to twelve Pd atoms to form HgPd12 cuboctahedra that share corners with four equivalent HgPd12 cuboctahedra, corners with eight equivalent PdHg4Pd8 cuboctahedra, edges with eight equivalent HgPd12 cuboctahedra, edges with sixteen equivalent PdHg4Pd8 cuboctahedra, faces with four equivalent HgPd12 cuboctahedra, and faces with fourteen PdHg4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(Si3Pd10)2 by Materials Project

Ce3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ce–Pd bond lengths are 3.02 Å. In the second Ce site, Ce is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ce–Pd bond lengths are 2.87 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ce and three equivalent Si atoms to form a mixture of edge and corner-sharing PdCeSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ce and two equivalent Si atoms. Both Pd–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Pd4 by Materials Project

Er3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Er–Pd bond distances ranging from 2.86–3.28 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Er atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Er atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Er and three equivalent Pd atoms. There are one shorter (2.88 Å) and two longer (2.97 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗