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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on VIr3 by Materials Project

Ir3V is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Ir atoms to form VIr12 cuboctahedra that share corners with twelve equivalent VIr12 cuboctahedra, edges with twenty-four equivalent IrV4Ir8 cuboctahedra, faces with six equivalent VIr12 cuboctahedra, and faces with twelve equivalent IrV4Ir8 cuboctahedra. All V–Ir bond lengths are 2.71 Å. Ir is bonded to four equivalent V and eight equivalent Ir atoms to form distorted IrV4Ir8 cuboctahedra that share corners with twelve equivalent IrV4Ir8 cuboctahedra, edges with eight equivalent VIr12 cuboctahedra, edges with sixteen equivalent IrV4Ir8 cuboctahedra, faces with four equivalent VIr12 cuboctahedra, and faces with fourteen equivalent IrV4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VIr by Materials Project

IrV is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. V is bonded to eight equivalent Ir atoms to form a mixture of distorted edge, corner, and face-sharing VIr8 cuboctahedra. All V–Ir bond lengths are 2.68 Å. Ir is bonded to eight equivalent V atoms to form a mixture of distorted edge, corner, and face-sharing IrV8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3Ir by Materials Project

V3Ir crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Ir atoms. Both V–V bond lengths are 2.39 Å. All V–Ir bond lengths are 2.68 Å. Ir is bonded to twelve equivalent V atoms to form a mixture of edge and face-sharing IrV12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VIr by Materials Project

IrV is alpha iridium vanadium structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V is bonded in a 9-coordinate geometry to one V and eight equivalent Ir atoms. The V–V bond length is 2.38 Å. All V–Ir bond lengths are 2.66 Å. Ir is bonded in a 8-coordinate geometry to eight equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VIr3 by Materials Project

Ir3V is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Ir atoms to form VIr12 cuboctahedra that share corners with six equivalent VIr12 cuboctahedra, corners with twelve equivalent IrV4Ir8 cuboctahedra, edges with eighteen equivalent IrV4Ir8 cuboctahedra, faces with eight equivalent VIr12 cuboctahedra, and faces with twelve equivalent IrV4Ir8 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.73 Å) V–Ir bond lengths. Ir is bonded to four equivalent V and eight equivalent Ir atoms to form distorted IrV4Ir8 cuboctahedra that share corners with four equivalent VIr12 cuboctahedra, corners with fourteen equivalent IrV4Ir8 cuboctahedra, edges with six equivalent VIr12 cuboctahedra, edges with twelve equivalent IrV4Ir8 cuboctahedra, faces with four equivalent VIr12 cuboctahedra, and faces with sixteen equivalent IrV4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.69–2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VIr by Materials Project

IrV crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to four V and eight equivalent Ir atoms. There are two shorter (2.50 Å) and two longer (2.76 Å) V–V bond lengths. There are a spread of V–Ir bond distances ranging from 2.61–2.84 Å. In the second V site, V is bonded in a 8-coordinate geometry to two equivalent V and eight equivalent Ir atoms. There are a spread of V–Ir bond distances ranging from 2.56–2.75 Å. Ir is bonded in a 8-coordinate geometry to eight V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VIr by Materials Project

IrV crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to one V and eight equivalent Ir atoms. The V–V bond length is 2.54 Å. There are four shorter (2.62 Å) and four longer (2.71 Å) V–Ir bond lengths. In the second V site, V is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.59 Å. In the third V site, V is bonded to four V and eight equivalent Ir atoms to form a mixture of distorted corner and face-sharing VV4Ir8 cuboctahedra. Both V–V bond lengths are 2.78 Å. All V–Ir bond lengths are 2.77 Å. Ir is bonded in a 8-coordinate geometry to eight V atoms.

36 MATERIALS SCIENCE↗