Materials Data on Ta2O7 by Materials Project
(TaO3)4O2 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of two water molecules and one TaO3 framework. In the TaO3 framework, there are four inequivalent Ta sites. In the first Ta site, Ta is bonded to six O atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of Ta–O bond distances ranging from 1.97–2.00 Å. In the second Ta site, Ta is bonded to six O atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of Ta–O bond distances ranging from 1.98–2.00 Å. In the third Ta site, Ta is bonded to six O atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Ta–O bond distances ranging from 1.98–2.00 Å. In the fourth Ta site, Ta is bonded to six O atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There is two shorter (1.98 Å) and four longer (1.99 Å) Ta–O bond length. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two Ta atoms.