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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErSiPd by Materials Project

ErPdSi crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six Pd and six Si atoms. All Er–Pd bond lengths are 3.18 Å. There are four shorter (2.95 Å) and two longer (2.96 Å) Er–Si bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are two shorter (3.05 Å) and four longer (3.09 Å) Er–Pd bond lengths. There are four shorter (3.07 Å) and two longer (3.14 Å) Er–Si bond lengths. In the third Er site, Er is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Er–Pd bond distances ranging from 2.88–3.09 Å. There are a spread of Er–Si bond distances ranging from 3.00–3.19 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Er, one Pd, and three Si atoms. The Pd–Pd bond length is 3.01 Å. There are two shorter (2.50 Å) and one longer (2.52 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Er and four Si atoms. There are a spread of Pd–Si bond distances ranging from 2.52–2.75 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Er, three Pd, and one Si atom. The Si–Si bond length is 2.57 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to six Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(SiPd)2 by Materials Project

ErPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Er–Pd bond lengths are 3.24 Å. All Er–Si bond lengths are 3.15 Å. Pd is bonded to four equivalent Er and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PdEr4Si4 tetrahedra. All Pd–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSiPd2 by Materials Project

ErPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Si atoms. There are a spread of Er–Pd bond distances ranging from 2.98–3.17 Å. There are two shorter (2.96 Å) and one longer (2.99 Å) Er–Si bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Er and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.49–2.60 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Pd atoms.

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 Er2Si3Pd by Materials Project

Er2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted face and edge-sharing ErSi8Pd4 cuboctahedra. There are two shorter (3.00 Å) and two longer (3.17 Å) Er–Pd bond lengths. There are four shorter (3.02 Å) and four longer (3.13 Å) Er–Si bond lengths. In the second Er site, Er is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing ErSi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Er–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Pd–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Er, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSiPd by Materials Project

ErPdSi crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Pd and six equivalent Si atoms. There are a spread of Er–Pd bond distances ranging from 3.02–3.14 Å. There are a spread of Er–Si bond distances ranging from 2.99–3.30 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Er, one Pd, and three equivalent Si atoms. The Pd–Pd bond length is 2.92 Å. There are two shorter (2.47 Å) and one longer (2.71 Å) Pd–Si bond lengths. Si is bonded in a 10-coordinate geometry to six equivalent Er, three equivalent Pd, and one Si atom. The Si–Si bond length is 2.44 Å.

36 MATERIALS SCIENCE↗