Materials Data on Sr2GaFe2O7 by Materials Project
Sr2Fe2GaO7 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Sr2Fe2GaO7 sheet oriented in the (0, 0, 1) direction. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.94 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. In the third Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.93 Å. In the fourth Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.89 Å) and two longer (1.90 Å) Fe–O bond length. In the second Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is three shorter (1.89 Å) and one longer (1.90 Å) Fe–O bond length. In the third Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is one shorter (1.89 Å) and three longer (1.90 Å) Fe–O bond length. In the fourth Fe site, Fe is bonded in a square co-planar geometry to four O atoms. All Fe–O bond lengths are 1.89 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four O atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–1.92 Å. In the second Ga site, Ga is bonded to four O atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–1.91 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the second O site, O is bonded to two Sr and two Ga atoms to form distorted corner-sharing OSr2Ga2 tetrahedra. In the third O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the fourth O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms. In the sixth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms. In the seventh O site, O is bonded to two Sr and two Ga atoms to form distorted corner-sharing OSr2Ga2 tetrahedra. In the eighth O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the ninth O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the tenth O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the eleventh O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the thirteenth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms. In the fourteenth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms.