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Materials Data on Pr2UTe4 by Materials Project

UPr2Te4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U is bonded to eight equivalent Te atoms to form distorted UTe8 hexagonal bipyramids that share corners with eight equivalent PrTe8 hexagonal bipyramids, edges with four equivalent UTe8 hexagonal bipyramids, and faces with eight equivalent PrTe8 hexagonal bipyramids. There are four shorter (3.20 Å) and four longer (3.34 Å) U–Te bond lengths. Pr is bonded to eight equivalent Te atoms to form distorted PrTe8 hexagonal bipyramids that share corners with four equivalent UTe8 hexagonal bipyramids, corners with four equivalent PrTe8 hexagonal bipyramids, edges with four equivalent PrTe8 hexagonal bipyramids, faces with four equivalent UTe8 hexagonal bipyramids, and faces with four equivalent PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.39 Å. Te is bonded to two equivalent U and four equivalent Pr atoms to form a mixture of distorted edge, face, and corner-sharing TePr4U2 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

36 MATERIALS SCIENCE↗

Materials Data on Pr2UTe5 by Materials Project

UPr2Te5 crystallizes in the monoclinic C2 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 3.12–3.30 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing PrTe7 pentagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.14–3.32 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Pr–Te bond distances ranging from 3.25–3.34 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to one U4+ and four Pr3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent U4+ and three Pr3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent U4+ and three Pr3+ atoms. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to one U4+ and three Pr3+ atoms. In the fifth Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U4+ and two equivalent Pr3+ atoms. In the sixth Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent U4+ and two equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on PrUTe6 by Materials Project

UPrTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UPrTe6 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 3.18–3.26 Å. Pr3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Pr–Te bond distances ranging from 3.29–3.41 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the second 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 3.11 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Pr3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Pr3+ atoms. In the fifth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗