Materials Data on Sr4P2O by Materials Project
Sr4P2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to five equivalent P3- and one O2- atom. There are one shorter (3.03 Å) and four longer (3.48 Å) Sr–P bond lengths. The Sr–O bond length is 2.82 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted linear geometry to four equivalent P3- and two equivalent O2- atoms. All Sr–P bond lengths are 3.25 Å. Both Sr–O bond lengths are 2.42 Å. P3- is bonded in a 9-coordinate geometry to nine Sr2+ atoms. O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.