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Materials Data on TbUTe6 by Materials Project

UTbTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UTbTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.19–3.24 Å. Tb3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Tb–Te bond distances ranging from 3.26–3.29 Å. There are five inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.10 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Tb3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.10 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Tb3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Tb3+ atom. In the fifth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Tb3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbUTe3 by Materials Project

UTbTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.16–3.73 Å. Tb3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing TbTe7 pentagonal bipyramids. There are a spread of Tb–Te bond distances ranging from 3.10–3.21 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Tb3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent U3+ and two equivalent Tb3+ atoms. In the third Te2- site, Te2- is bonded to two equivalent U3+ and three equivalent Tb3+ atoms to form distorted edge-sharing TeTb3U2 square pyramids.

36 MATERIALS SCIENCE↗

Materials Data on TbUTe4 by Materials Project

UTbTe4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.07–3.22 Å. Tb3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.09–3.28 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing TeTb2U2 trigonal pyramids. In the second Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing TeTb2U2 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U5+ and two equivalent Tb3+ atoms.

36 MATERIALS SCIENCE↗