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At least 181 records · Page 10
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DOE OSTI2020

Materials Data on Sm(CuSi)2 by Materials Project

SmCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.09 Å. Cu+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Cu+2.50+, and one Si4- atom. The Si–Si bond length is 2.38 Å.

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DOE OSTI2020

Materials Data on Sm(SiRu)2 by Materials Project

SmRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.25 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Ru+2.50+ atoms.

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Materials Data on Sm(CoB)2 by Materials Project

SmCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Sm–B bond lengths are 2.96 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Co+1.50+ atoms.

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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.

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DOE OSTI2020

Materials Data on Sm(SiPt)2 by Materials Project

SmPt2Si2 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 PtSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, edges with eight equivalent PtSi4 tetrahedra, and faces with four equivalent SmSi8 hexagonal bipyramids. All Sm–Si bond lengths are 3.22 Å. Pt3+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent SmSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Pt3+, and one Si4- atom. The Si–Si bond length is 2.37 Å.

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DOE OSTI2020

Materials Data on Sm(SiOs)2 by Materials Project

SmOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Sm–Os bond lengths are 3.23 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.56 Å.

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DOE OSTI2020

Materials Data on Sm(FeSi)2 by Materials Project

SmFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.13 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Fe+2.50+, and one Si4- atom. The Si–Si bond length is 2.65 Å.

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DOE OSTI2020

Materials Data on Sm(CoP)2 by Materials Project

SmCo2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Sm–P bond lengths are 3.01 Å. Co+1.50+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.25 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Co+1.50+, and one P3- atom. The P–P bond length is 2.51 Å.

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DOE OSTI2020

Materials Data on Sm(NiP)2 by Materials Project

SmNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Sm–P bond lengths are 3.02 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.29 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Ni2+, and one P3- atom. The P–P bond length is 2.38 Å.

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Materials Data on Sm(BC)2 by Materials Project

SmB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm2+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All Sm–C bond lengths are 2.75 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.53 Å) and two longer (1.61 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Sm2+ and three equivalent B3+ atoms.

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DOE OSTI2020

Materials Data on Sm(AlSi)2 by Materials Project

Al2Si2Sm crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent Si4- atoms to form SmSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent SmSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Sm–Si bond lengths are 3.02 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent SmSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent SmSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–54°. There are three shorter (2.52 Å) and one longer (2.53 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Sm2+ and four equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SiSm3Al4 pentagonal bipyramids.

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Materials Data on Sm(Mo3S4)2 by Materials Project

SmMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.77 Å) and six longer (3.01 Å) Sm–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Sm3+ and four equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Sm3+ and three equivalent Mo+2.17+ atoms.

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DOE OSTI2020

Materials Data on Sm(GaS2)2 by Materials Project

SmGa2S4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.92 Å) and four longer (2.98 Å) Sm–S bond lengths. Ga3+ is bonded to four S2- atoms to form edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.34–2.45 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sm2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sm2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SSm2Ga2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(SiIr)2 by Materials Project

SmIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.19 Å) and four longer (3.20 Å) Sm–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. In the second Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.40 Å) and four longer (2.44 Å) Ir–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ir3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(MgSb)2 by Materials Project

SmMg2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent SmSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent SmSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–57°. There are three shorter (2.84 Å) and one longer (2.91 Å) Mg–Sb bond lengths. Sm2+ is bonded to six equivalent Sb3- atoms to form SmSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent SmSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Sm–Sb bond lengths are 3.25 Å. Sb3- is bonded to four equivalent Mg2+ and three equivalent Sm2+ atoms to form a mixture of distorted corner and edge-sharing SbSm3Mg4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(CoB)4 by Materials Project

SmCo4B4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight equivalent B+1.50- atoms. There are four shorter (2.79 Å) and four longer (2.82 Å) Sm–B bond lengths. Co1+ is bonded in a 5-coordinate geometry to five equivalent B+1.50- atoms. There are a spread of Co–B bond distances ranging from 1.99–2.44 Å. B+1.50- is bonded in a 5-coordinate geometry to two equivalent Sm2+, five equivalent Co1+, and one B+1.50- atom. The B–B bond length is 1.79 Å.

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DOE OSTI2020

Materials Data on Sm(BRu)4 by Materials Project

SmRu4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent B3- atoms to form distorted SmB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent SmB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Sm–B bond distances ranging from 2.99–3.23 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent SmB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one SmB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent SmB12 cuboctahedra. There are a spread of Ru–B bond distances ranging from 2.16–2.31 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Sm3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(SiIr)2 by Materials Project

SmIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.26 Å. Ir3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ir–Si bond lengths are 2.42 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ir3+ atoms.

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