Materials Data on SrEuSi4 by Materials Project

Abstract

SrEuSi4 is hexagonal omega structure-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sr is bonded to twelve Si atoms to form SrSi12 cuboctahedra that share edges with four equivalent SrSi12 cuboctahedra, edges with eight equivalent EuSi12 cuboctahedra, faces with four equivalent SrSi12 cuboctahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.19 Å) and eight longer (3.31 Å) Sr–Si bond lengths. Eu is bonded to twelve Si atoms to form EuSi12 cuboctahedra that share edges with four equivalent EuSi12 cuboctahedra, edges with eight equivalent SrSi12 cuboctahedra, faces with four equivalent SrSi12 cuboctahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.17 Å) and eight longer (3.30 Å) Eu–Si bond lengths. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. There are one shorter (2.31 Å) and two longer (2.47 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sr, two equivalent Eu, and three Si atoms. The Si–Si bond length is 2.37 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. Both Si–Sr bond lengths are 3.19 Å. Both Si–Si bond lengths are 2.47 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. Both Si–Sr bond lengths are 3.19 Å. All Si–Eu bond lengths are 3.30 Å. There are one shorter (2.31 Å) and two longer (2.47 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sr, two equivalent Eu, and three Si atoms. All Si–Sr bond lengths are 3.31 Å. Both Si–Eu bond lengths are 3.17 Å. The Si–Si bond length is 2.37 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. All Si–Eu bond lengths are 3.30 Å. Both Si–Si bond lengths are 2.47 Å.