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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ThTeO by Materials Project

ThTeO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to five equivalent Te2- and four equivalent O2- atoms. There are four shorter (3.30 Å) and one longer (3.60 Å) Th–Te bond lengths. All Th–O bond lengths are 2.44 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Th4+, four equivalent Te2-, and four equivalent O2- atoms. All Te–Te bond lengths are 3.59 Å. All Te–O bond lengths are 3.49 Å. O2- is bonded to four equivalent Th4+ and four equivalent Te2- atoms to form a mixture of edge and face-sharing OTh4Te4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(TeO3)2 by Materials Project

ThTe2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.31–2.65 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.89 Å) and two longer (1.92 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Th4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Th4+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Th4+ and one Te4+ atom.

36 MATERIALS SCIENCE↗