Materials Data on K7Rb5(Fe2O5)2 by Materials Project

Rb5K7(Fe2O5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.51 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 3.04–3.51 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.31 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.31 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.09 Å. There are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four O2- atoms to form distorted edge-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.64–2.79 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted edge-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.63–2.78 Å. In the third K1+ site, K1+ is bonded to four O2- atoms to form distorted edge-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.64–2.76 Å. In the fourth K1+ site, K1+ is bonded to four O2- atoms to form edge-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.65–2.75 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.09 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.07 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.06 Å. There are four inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.94 Å) Fe–O bond length. In the second Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 1.88–1.94 Å. In the third Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.95 Å) Fe–O bond length. In the fourth Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 1.88–1.94 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+, four K1+, and one Fe2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+, three K1+, and one Fe2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+, three K1+, and one Fe2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+, four K1+, and one Fe2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+, three K1+, and one Fe2+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+, four K1+, and one Fe2+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+, four K1+, and one Fe2+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+, three K1+, and one Fe2+ atom. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+, one K1+, and two Fe2+ atoms. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to two Rb1+, two K1+, and two Fe2+ atoms.