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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce3(SiNi3)2 by Materials Project

Ce3Ni6Si2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.80 Å) and four longer (3.03 Å) Ce–Ni bond lengths. All Ce–Si bond lengths are 3.13 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Ce, six equivalent Ni, and two equivalent Si atoms. There are four shorter (2.55 Å) and two longer (2.85 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.46 Å. Si is bonded to six equivalent Ce and six equivalent Ni atoms to form a mixture of corner and face-sharing SiCe6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiNi3 by Materials Project

Ni3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni+1.33+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.47 Å. Si4- is bonded to twelve equivalent Ni+1.33+ atoms to form a mixture of corner and face-sharing SiNi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiNi3 by Materials Project

Ni3Si crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three nickel molecules and three Ni2Si sheets oriented in the (0, 0, 1) direction. In each Ni2Si sheet, Ni+1.33+ is bonded in a 3-coordinate geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.34 Å. Si4- is bonded to six equivalent Ni+1.33+ and six equivalent Si4- atoms to form a mixture of edge, face, and corner-sharing SiSi6Ni6 cuboctahedra. All Si–Si bond lengths are 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3(SiNi3)2 by Materials Project

Y3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.83 Å) and four longer (2.93 Å) Y–Ni bond lengths. All Y–Si bond lengths are 3.12 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Y, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.54 Å. Both Ni–Si bond lengths are 2.41 Å. Si is bonded to six equivalent Y and six equivalent Ni atoms to form a mixture of face and corner-sharing SiY6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(SiNi3)2 by Materials Project

Nd3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.87 Å) and four longer (2.98 Å) Nd–Ni bond lengths. All Nd–Si bond lengths are 3.17 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.58 Å. Both Ni–Si bond lengths are 2.45 Å. Si is bonded to six equivalent Nd and six equivalent Ni atoms to form a mixture of face and corner-sharing SiNd6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(SiNi3)2 by Materials Project

Ho3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.81 Å) and four longer (2.92 Å) Ho–Ni bond lengths. All Ho–Si bond lengths are 3.10 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Ho, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.52 Å. Both Ni–Si bond lengths are 2.40 Å. Si is bonded to six equivalent Ho and six equivalent Ni atoms to form a mixture of corner and face-sharing SiHo6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(SiNi3)2 by Materials Project

Pr3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.89 Å) and four longer (2.99 Å) Pr–Ni bond lengths. All Pr–Si bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Pr, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.58 Å. Both Ni–Si bond lengths are 2.46 Å. Si is bonded to six equivalent Pr and six equivalent Ni atoms to form a mixture of corner and face-sharing SiPr6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(SiNi3)2 by Materials Project

Sm3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.85 Å) and four longer (2.96 Å) Sm–Ni bond lengths. All Sm–Si bond lengths are 3.15 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Sm, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Si bond lengths are 2.44 Å. Si is bonded to six equivalent Sm and six equivalent Ni atoms to form a mixture of face and corner-sharing SiSm6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗