Materials Data on Eu5Nb4O15 by Materials Project
Eu5Nb4O15 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with six equivalent EuO12 cuboctahedra, faces with three equivalent EuO12 cuboctahedra, and faces with eight NbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.81–2.87 Å. In the second Eu2+ site, Eu2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.50–2.92 Å. In the third Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.49–2.92 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Eu–O bond distances ranging from 2.51–3.13 Å. In the fifth Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form distorted EuO12 cuboctahedra that share corners with six equivalent EuO12 cuboctahedra, faces with three equivalent EuO12 cuboctahedra, and faces with seven NbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.52–3.12 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with six EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are three shorter (1.99 Å) and three longer (2.05 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with four EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are three shorter (1.99 Å) and three longer (2.05 Å) Nb–O bond lengths. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra and faces with four EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Nb–O bond distances ranging from 1.91–2.17 Å. In the fourth Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra and a faceface with one EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are three shorter (1.91 Å) and three longer (2.17 Å) Nb–O bond lengths. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms.