Materials Data on Sm4Bi2O by Materials Project
Sm4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a linear geometry to four equivalent Bi and two equivalent O atoms. All Sm–Bi bond lengths are 3.38 Å. Both Sm–O bond lengths are 2.34 Å. In the second Sm site, Sm is bonded to five equivalent Bi and one O atom to form a mixture of distorted edge and corner-sharing SmBi5O octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are one shorter (3.23 Å) and four longer (3.37 Å) Sm–Bi bond lengths. The Sm–O bond length is 3.05 Å. Bi is bonded in a 9-coordinate geometry to nine Sm atoms. O is bonded to six Sm atoms to form corner-sharing OSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.