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Materials Data on UTe by Materials Project

UTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All U–Te bond lengths are 3.25 Å. Te is bonded in a body-centered cubic geometry to eight equivalent U atoms.

36 MATERIALS SCIENCE↗

Materials Data on U7Te12 by Materials Project

U7Te12 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent U+3.43+ sites. In the first U+3.43+ site, U+3.43+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.10–3.31 Å. In the second U+3.43+ site, U+3.43+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.04–3.40 Å. In the third U+3.43+ site, U+3.43+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are three shorter (3.13 Å) and six longer (3.35 Å) U–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four U+3.43+ atoms to form distorted corner-sharing TeU4 tetrahedra. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five U+3.43+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five U+3.43+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to five U+3.43+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on U3Te4 by Materials Project

U3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. U is bonded to eight equivalent Te atoms to form a mixture of distorted edge, face, and corner-sharing UTe8 hexagonal bipyramids. There are four shorter (3.16 Å) and four longer (3.27 Å) U–Te bond lengths. Te is bonded to six equivalent U atoms to form a mixture of distorted edge, face, and corner-sharing TeU6 octahedra. The corner-sharing octahedra tilt angles range from 16–50°.

36 MATERIALS SCIENCE↗

Materials Data on UTe3 by Materials Project

UTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two UTe3 sheets oriented in the (0, 1, 0) direction. U6+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of U–Te bond distances ranging from 3.19–3.26 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.12 Å. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five equivalent U6+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and four equivalent Te2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on UTe by Materials Project

UTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing UTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Te bond lengths are 3.08 Å. Te is bonded to six equivalent U atoms to form a mixture of edge and corner-sharing TeU6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on UTe5 by Materials Project

UTe5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two UTe5 sheets oriented in the (0, 0, 1) direction. U4+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are a spread of U–Te bond distances ranging from 3.05–3.19 Å. There are four inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to two equivalent U4+ and one Te+0.80- atom. The Te–Te bond length is 2.84 Å. In the second Te+0.80- site, Te+0.80- is bonded in a distorted L-shaped geometry to two equivalent U4+ atoms. In the third Te+0.80- site, Te+0.80- is bonded in a distorted linear geometry to two equivalent U4+ atoms. In the fourth Te+0.80- site, Te+0.80- is bonded in a 1-coordinate geometry to one U4+ and two equivalent Te+0.80- atoms.

36 MATERIALS SCIENCE↗

Materials Data on U2Te5 by Materials Project

U2Te5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one U2Te5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.10–3.24 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.07–3.21 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four U5+ atoms to form a mixture of distorted corner and edge-sharing TeU4 trigonal pyramids. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U5+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U5+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent U5+ atoms. In the fifth Te2- site, Te2- is bonded to four U5+ atoms to form a mixture of distorted corner and edge-sharing TeU4 trigonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on U2Te3 by Materials Project

U2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to seven Te2- atoms to form a mixture of distorted corner and edge-sharing UTe7 pentagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.08–3.16 Å. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.13–3.59 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing TeU5 trigonal bipyramids. In the second Te2- site, Te2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing TeU5 square pyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five U3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on UTe5 by Materials Project

UTe5 crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two UTe5 sheets oriented in the (0, 0, 1) direction. U4+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are a spread of U–Te bond distances ranging from 3.10–3.21 Å. There are five inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to two equivalent U4+ and one Te+0.80- atom. The Te–Te bond length is 2.84 Å. In the second Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to two equivalent U4+ atoms. In the third Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to two equivalent U4+ atoms. In the fourth Te+0.80- site, Te+0.80- is bonded in a 1-coordinate geometry to one U4+ and two Te+0.80- atoms. The Te–Te bond length is 2.84 Å. In the fifth Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to two equivalent U4+ and one Te+0.80- atom.

36 MATERIALS SCIENCE↗

Materials Data on UTe2 by Materials Project

UTe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.09–3.24 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent U4+ atoms. In the second Te2- site, Te2- is bonded to four equivalent U4+ atoms to form a mixture of distorted corner and edge-sharing TeU4 trigonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on UTe3 by Materials Project

UTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UTe3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.18 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded to four equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.

36 MATERIALS SCIENCE↗