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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(SiPd)2 by Materials Project

SmPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded to eight equivalent Si4- atoms to form SmSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent SmSi8 hexagonal bipyramids. All Sm–Si bond lengths are 3.20 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent SmSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.48 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4Si3Pd4 by Materials Project

Sm4Pd4Si3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to seven Pd and four Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.02–3.34 Å. There are a spread of Sm–Si bond distances ranging from 3.04–3.42 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to seven Pd and four Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.03–3.33 Å. There are a spread of Sm–Si bond distances ranging from 3.03–3.42 Å. In the third Sm site, Sm is bonded in a 11-coordinate geometry to seven Pd and four Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.03–3.33 Å. There are a spread of Sm–Si bond distances ranging from 3.04–3.43 Å. In the fourth Sm site, Sm is bonded in a 8-coordinate geometry to five Pd and five Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.04–3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.03–3.41 Å. In the fifth Sm site, Sm is bonded in a 8-coordinate geometry to five Pd and five Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.03–3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.02–3.40 Å. In the sixth Sm site, Sm is bonded in a 8-coordinate geometry to five Pd and five Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.03–3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.02–3.40 Å. In the seventh Sm site, Sm is bonded in a 8-coordinate geometry to five Pd and five Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.02–3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.02–3.40 Å. In the eighth Sm site, Sm is bonded in a 11-coordinate geometry to seven Pd and four Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.03–3.34 Å. There are a spread of Sm–Si bond distances ranging from 3.04–3.43 Å. There are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are one shorter (2.58 Å) and two longer (2.66 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.46–2.56 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.58–2.67 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are one shorter (2.58 Å) and two longer (2.66 Å) Pd–Si bond lengths. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.46–2.55 Å. In the sixth Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.46–2.55 Å. In the seventh Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.46–2.55 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are one shorter (2.57 Å) and two longer (2.66 Å) Pd–Si bond lengths. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Sm and four Pd atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to five Sm and four Pd atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to five Sm and four Pd atoms. In the fourth Si site, Si is bonded in a 12-coordinate geometry to eight Sm and four Pd atoms. In the fifth Si site, Si is bonded in a 9-coordinate geometry to five Sm and four Pd atoms. In the sixth Si site, Si is bonded in a 12-coordinate geometry to eight Sm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(SiPd)2 by Materials Project

Sm3Pd2Si2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Pd and five Si atoms. There are two shorter (3.07 Å) and two longer (3.13 Å) Sm–Pd bond lengths. There are a spread of Sm–Si bond distances ranging from 3.07–3.29 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to four equivalent Pd and four Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.00–3.19 Å. There are a spread of Sm–Si bond distances ranging from 3.02–3.40 Å. Pd is bonded in a 10-coordinate geometry to six Sm, one Pd, and three Si atoms. The Pd–Pd bond length is 2.84 Å. There are one shorter (2.52 Å) and two longer (2.65 Å) Pd–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Sm and two equivalent Pd atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to six Sm and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSiPd by Materials Project

SmPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm2+ is bonded in a 7-coordinate geometry to four equivalent Pd2+ and six equivalent Si4- atoms. There are a spread of Sm–Pd bond distances ranging from 3.06–3.16 Å. There are a spread of Sm–Si bond distances ranging from 3.04–3.47 Å. Pd2+ is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Si4- atoms. There are two shorter (2.56 Å) and two longer (2.67 Å) Pd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to six equivalent Sm2+ and four equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSiPd by Materials Project

SmPdSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent Pd2+ and six equivalent Si4- atoms to form a mixture of distorted edge and face-sharing SmSi6Pd6 cuboctahedra. All Sm–Pd bond lengths are 3.14 Å. All Sm–Si bond lengths are 3.14 Å. Pd2+ is bonded in a trigonal planar geometry to six equivalent Sm2+ and three equivalent Si4- atoms. All Pd–Si bond lengths are 2.50 Å. Si4- is bonded in a 3-coordinate geometry to six equivalent Sm2+ and three equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Si5Pd3 by Materials Project

Sm2Pd3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Sm–Si bond distances ranging from 3.07–3.25 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.51 Å) and two longer (2.64 Å) Pd–Si bond lengths. In the second Pd2+ site, Pd2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Pd–Si bond distances ranging from 2.41–2.46 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Sm3+, three Pd2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.49 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Sm3+, three Pd2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSiPd2 by Materials Project

SmPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.01–3.58 Å. There are a spread of Sm–Si bond distances ranging from 3.04–3.08 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Sm, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.76–3.12 Å. There are a spread of Pd–Si bond distances ranging from 2.51–2.66 Å. Si is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Si3Pd by Materials Project

Sm2PdSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to two equivalent Pd and ten Si atoms to form a mixture of face and edge-sharing SmSi10Pd2 cuboctahedra. Both Sm–Pd bond lengths are 3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.19 Å. In the second Sm site, Sm is bonded to four equivalent Pd and eight Si atoms to form a mixture of face and edge-sharing SmSi8Pd4 cuboctahedra. All Sm–Pd bond lengths are 3.19 Å. There are a spread of Sm–Si bond distances ranging from 3.10–3.18 Å. Pd is bonded in a 3-coordinate geometry to six Sm and three Si atoms. There are one shorter (2.38 Å) and two longer (2.41 Å) Pd–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are one shorter (2.36 Å) and two longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 2-coordinate geometry to six Sm, two equivalent Pd, and one Si atom. In the third Si site, Si is bonded in a 1-coordinate geometry to six Sm, one Pd, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSiPd by Materials Project

SmPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to six Pd2+ and six Si4- atoms. There are a spread of Sm–Pd bond distances ranging from 2.99–3.15 Å. There are a spread of Sm–Si bond distances ranging from 3.12–3.29 Å. In the second Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Sm–Si bond distances ranging from 3.00–3.15 Å. In the third Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to six Pd2+ and six Si4- atoms. There are a spread of Sm–Pd bond distances ranging from 2.96–3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.28 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a 4-coordinate geometry to five Sm2+ and three Si4- atoms. There are one shorter (2.53 Å) and two longer (2.54 Å) Pd–Si bond lengths. In the second Pd2+ site, Pd2+ is bonded in a 3-coordinate geometry to three equivalent Sm2+ and three equivalent Si4- atoms. There are two shorter (2.54 Å) and one longer (2.61 Å) Pd–Si bond lengths. In the third Pd2+ site, Pd2+ is bonded in a 6-coordinate geometry to four Sm2+ and four Si4- atoms. There are a spread of Pd–Si bond distances ranging from 2.56–2.90 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+ and four Pd2+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+, three equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.64 Å. In the third Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+, three Pd2+, and one Si4- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(Si3Pd10)2 by Materials Project

Sm3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Sm–Pd bond lengths are 2.89 Å. In the second Sm site, Sm is bonded in a distorted cuboctahedral geometry to twelve equivalent Pd atoms. All Sm–Pd bond lengths are 3.03 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Sm and three equivalent Si atoms to form a mixture of corner and edge-sharing PdSmSi3 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 Sm 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↗