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Materials Data on ErIr2 by Materials Project

ErIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Er–Ir bond lengths are 3.13 Å. Ir is bonded to six equivalent Er and six equivalent Ir atoms to form a mixture of corner, edge, and face-sharing IrEr6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.

36 MATERIALS SCIENCE↗

Materials Data on ErIr by Materials Project

ErIr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Er–Ir bond lengths are 2.94 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗

Materials Data on Er5Ir3 by Materials Project

Er5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to five Ir atoms to form distorted ErIr5 trigonal bipyramids that share corners with four equivalent ErIr4 tetrahedra, corners with eleven equivalent ErIr5 trigonal bipyramids, an edgeedge with one ErIr4 tetrahedra, edges with six equivalent ErIr5 trigonal bipyramids, and faces with two equivalent ErIr5 trigonal bipyramids. There are a spread of Er–Ir bond distances ranging from 2.87–3.11 Å. In the second Er site, Er is bonded to four equivalent Ir atoms to form ErIr4 tetrahedra that share corners with sixteen equivalent ErIr5 trigonal bipyramids, edges with two equivalent ErIr4 tetrahedra, and edges with four equivalent ErIr5 trigonal bipyramids. All Er–Ir bond lengths are 2.83 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Er atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗