Materials Data on K4I2O by Materials Project
K4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent I1- atoms. Both K–O bond lengths are 2.68 Å. All K–I bond lengths are 3.73 Å. In the second K1+ site, K1+ is bonded in a distorted single-bond geometry to one O2- and five equivalent I1- atoms. The K–O bond length is 2.60 Å. There are one shorter (3.64 Å) and four longer (3.79 Å) K–I bond lengths. O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded in a 9-coordinate geometry to nine K1+ atoms.
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