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DOE OSTI2020

Materials Data on EuI2 by Materials Project

EuI2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded to seven I1- atoms to form a mixture of distorted edge and corner-sharing EuI7 pentagonal bipyramids. There are a spread of Eu–I bond distances ranging from 3.28–3.45 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Eu2+ atoms. In the second I1- site, I1- is bonded to four equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing IEu4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuI2 by Materials Project

EuI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Eu2+ is bonded to seven I1- atoms to form a mixture of distorted edge and corner-sharing EuI7 pentagonal bipyramids. There are a spread of Eu–I bond distances ranging from 3.28–3.45 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to three equivalent Eu2+ atoms. In the second I1- site, I1- is bonded to four equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing IEu4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Y by Materials Project

Eu3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to eight equivalent Eu and four equivalent Y atoms to form EuEu8Y4 cuboctahedra that share corners with four equivalent YEu12 cuboctahedra, corners with fourteen equivalent EuEu8Y4 cuboctahedra, edges with six equivalent YEu12 cuboctahedra, edges with twelve equivalent EuEu8Y4 cuboctahedra, faces with four equivalent YEu12 cuboctahedra, and faces with sixteen equivalent EuEu8Y4 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.80–3.93 Å. There are two shorter (3.82 Å) and two longer (3.87 Å) Eu–Y bond lengths. Y is bonded to twelve equivalent Eu atoms to form YEu12 cuboctahedra that share corners with six equivalent YEu12 cuboctahedra, corners with twelve equivalent EuEu8Y4 cuboctahedra, edges with eighteen equivalent EuEu8Y4 cuboctahedra, faces with eight equivalent YEu12 cuboctahedra, and faces with twelve equivalent EuEu8Y4 cuboctahedra.

36 MATERIALS SCIENCE↗