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Materials Data on U2TeO2 by Materials Project

U2O2Te crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.35 Å. All U–O bond lengths are 2.32 Å. Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent U3+ atoms. O2- is bonded to four equivalent U3+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on U4Te3O4 by Materials Project

U4O4Te3 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two U4O4Te3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent U+3.50+ sites. In the first U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.39 Å. All U–O bond lengths are 2.27 Å. In the second U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.19 Å. All U–O bond lengths are 2.40 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to eight equivalent U+3.50+ and eight equivalent O2- atoms. All Te–O bond lengths are 3.62 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent U+3.50+ atoms. O2- is bonded to four U+3.50+ and two equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing OU4Te2 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on UTeO by Materials Project

UOTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one UOTe sheet oriented in the (0, 0, 1) direction. U4+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.22 Å. All U–O bond lengths are 2.34 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent U4+ atoms. O2- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on UTeO5 by Materials Project

UTeO5 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one UTeO5 sheet oriented in the (1, 0, 0) direction. U6+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.81–2.44 Å. Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.93 Å) and two longer (2.07 Å) Te–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Te4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on U(TeO3)3 by Materials Project

UTe3O9 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a distorted hexagonal bipyramidal geometry to eight O2- atoms. There are two shorter (1.82 Å) and six longer (2.50 Å) U–O bond lengths. In the second U6+ site, U6+ is bonded in a distorted hexagonal bipyramidal geometry to eight O2- atoms. There are two shorter (1.83 Å) and six longer (2.43 Å) U–O bond lengths. Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.46 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Te4+ atoms.

36 MATERIALS SCIENCE↗