Materials Data on TeSeO4 by Materials Project
TeSeO4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one TeSeO4 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.09–2.74 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.05–2.93 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–2.44 Å. In the second Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.56–2.51 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ and one O2- atom. The O–O bond length is 2.75 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Se4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Te4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+, one Se4+, and one O2- atom. The O–O bond length is 2.56 Å. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Te4+, two Se4+, and three O2- atoms. The O–O bond length is 2.34 Å. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+, one Se4+, and one O2- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom.