Materials Data on Sr4Bi2O by Materials Project

Sr4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted single-bond geometry to five Bi and one O atom. There are one shorter (3.49 Å) and four longer (3.60 Å) Sr–Bi bond lengths. The Sr–O bond length is 2.77 Å. In the second Sr site, Sr is bonded to five Bi and one O atom to form a mixture of distorted corner and edge-sharing SrBi5O octahedra. The corner-sharing octahedral tilt angles are 18°. There are one shorter (3.37 Å) and four longer (3.61 Å) Sr–Bi bond lengths. The Sr–O bond length is 3.19 Å. In the third Sr site, Sr is bonded in a linear geometry to four Bi and two equivalent O atoms. There are two shorter (3.52 Å) and two longer (3.54 Å) Sr–Bi bond lengths. Both Sr–O bond lengths are 2.53 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Sr atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Sr atoms. O is bonded to six Sr atoms to form distorted corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 6°.