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Materials Data on Er3In by Materials Project

Er3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent In atoms to form distorted ErEr8In4 cuboctahedra that share corners with four equivalent InEr12 cuboctahedra, corners with fourteen equivalent ErEr8In4 cuboctahedra, edges with six equivalent InEr12 cuboctahedra, edges with twelve equivalent ErEr8In4 cuboctahedra, faces with four equivalent InEr12 cuboctahedra, and faces with sixteen equivalent ErEr8In4 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.36–3.50 Å. There are two shorter (3.36 Å) and two longer (3.43 Å) Er–In bond lengths. In is bonded to twelve equivalent Er atoms to form InEr12 cuboctahedra that share corners with six equivalent InEr12 cuboctahedra, corners with twelve equivalent ErEr8In4 cuboctahedra, edges with eighteen equivalent ErEr8In4 cuboctahedra, faces with eight equivalent InEr12 cuboctahedra, and faces with twelve equivalent ErEr8In4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Er3InC by Materials Project

Er3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Er3In framework. In the Er3In framework, Er is bonded in a linear geometry to two equivalent In atoms. Both Er–In bond lengths are 2.77 Å. In is bonded to six equivalent Er atoms to form corner-sharing InEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗