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DOE OSTI2020

Materials Data on Eu(SiNi)2 by Materials Project

EuNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Eu–Si bond lengths are 3.13 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.32 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Si3Ni8 by Materials Project

Eu2(Ni2Si)3(Ni)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional and consists of eight nickel molecules and one Eu2(Ni2Si)3 framework. In the Eu2(Ni2Si)3 framework, Eu2+ is bonded in a distorted single-bond geometry to two equivalent Ni1+ and one Si4- atom. Both Eu–Ni bond lengths are 2.79 Å. The Eu–Si bond length is 2.83 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 2-coordinate geometry to one Eu2+ and two equivalent Si4- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) Ni–Si bond lengths. In the second Ni1+ site, Ni1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.18–2.55 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Ni1+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and four equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuSi2Ni by Materials Project

EuNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Eu–Ni bond lengths are 3.14 Å. There are a spread of Eu–Si bond distances ranging from 3.09–3.22 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Eu and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.30–2.37 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.44 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuSi3Ni by Materials Project

EuNiSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu2+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing EuSi12 cuboctahedra. There are a spread of Eu–Si bond distances ranging from 3.05–3.21 Å. Ni2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.30 Å) and four longer (2.31 Å) Ni–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four equivalent Eu2+, two equivalent Ni2+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.56 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Eu2+, one Ni2+, and four equivalent Si+1.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuSi2Ni9 by Materials Project

EuNi9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a 10-coordinate geometry to eighteen Ni atoms. There are a spread of Eu–Ni bond distances ranging from 3.04–3.17 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Eu, eight equivalent Ni, and four equivalent Si atoms. All Ni–Ni bond lengths are 2.61 Å. All Ni–Si bond lengths are 2.57 Å. In the second Ni site, Ni is bonded to two equivalent Eu, eight Ni, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing NiEu2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.59 Å. There are one shorter (2.33 Å) and one longer (2.38 Å) Ni–Si bond lengths. Si is bonded in a 12-coordinate geometry to ten Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Si3Ni8 by Materials Project

Eu2Ni8Si3 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Eu2+ is bonded in a 1-coordinate geometry to five Si4- atoms. There are a spread of Eu–Si bond distances ranging from 3.08–3.39 Å. There are three inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Ni–Si bond lengths are 2.35 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.28–2.59 Å. In the third Ni1+ site, Ni1+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.32–2.43 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to two equivalent Eu2+ and eight Ni1+ atoms. In the second Si4- site, Si4- is bonded in a 12-coordinate geometry to four equivalent Eu2+ and eight Ni1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Si3Ni by Materials Project

Eu2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu is bonded to three equivalent Ni and nine Si atoms to form a mixture of face and edge-sharing EuSi9Ni3 cuboctahedra. All Eu–Ni bond lengths are 3.16 Å. There are three shorter (3.16 Å) and six longer (3.26 Å) Eu–Si bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Si atoms. All Ni–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuSi3Ni by Materials Project

EuNiSi3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu2+ is bonded to twelve Si+1.33- atoms to form EuSi12 cuboctahedra that share corners with eight equivalent EuSi12 cuboctahedra, corners with eight equivalent SiEu4Si4Ni4 cuboctahedra, edges with four equivalent EuSi12 cuboctahedra, edges with four equivalent SiEu4Si4Ni4 cuboctahedra, edges with eight equivalent NiSi8 tetrahedra, faces with four equivalent EuSi12 cuboctahedra, and faces with four equivalent NiSi8 tetrahedra. There are eight shorter (3.16 Å) and four longer (3.21 Å) Eu–Si bond lengths. Ni2+ is bonded to eight Si+1.33- atoms to form distorted NiSi8 tetrahedra that share corners with four equivalent NiSi8 tetrahedra, edges with four equivalent SiEu4Si4Ni4 cuboctahedra, edges with eight equivalent EuSi12 cuboctahedra, faces with four equivalent EuSi12 cuboctahedra, and faces with four equivalent NiSi8 tetrahedra. There are four shorter (2.40 Å) and four longer (2.92 Å) Ni–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Eu2+, two equivalent Ni2+, and three Si+1.33- atoms. There are two shorter (2.40 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded to four equivalent Eu2+, four equivalent Ni2+, and four equivalent Si+1.33- atoms to form distorted SiEu4Si4Ni4 cuboctahedra that share corners with eight equivalent EuSi12 cuboctahedra, corners with twelve equivalent SiEu4Si4Ni4 cuboctahedra, edges with four equivalent EuSi12 cuboctahedra, edges with four equivalent NiSi8 tetrahedra, and faces with four equivalent SiEu4Si4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3(SiNi3)2 by Materials Project

Eu3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.88 Å) and four longer (2.96 Å) Eu–Ni bond lengths. All Eu–Si bond lengths are 3.16 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Eu, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–Si bond lengths are 2.44 Å. Si is bonded to six equivalent Eu and six equivalent Ni atoms to form a mixture of corner and face-sharing SiEu6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗