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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoUTe6 by Materials Project

UHoTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UHoTe6 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 3.16–3.24 Å. Ho3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are six shorter (3.25 Å) and three longer (3.27 Å) Ho–Te bond lengths. There are six 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 3.09 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Ho3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Ho3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoUTe4 by Materials Project

UHoTe4 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 3.06–3.22 Å. Ho3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ho–Te bond distances ranging from 3.06–3.25 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing TeHo2U2 trigonal pyramids. In the second Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing TeHo2U2 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U5+ and two equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoUTe3 by Materials Project

UHoTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing UTe7 pentagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.10–3.19 Å. Ho3+ is bonded in a 7-coordinate geometry to eight Te2- atoms. There are a spread of Ho–Te bond distances ranging from 3.14–3.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent U3+ and three equivalent Ho3+ atoms. In the second Te2- site, Te2- is bonded to three equivalent U3+ and two equivalent Ho3+ atoms to form distorted TeHo2U3 square pyramids that share corners with eight equivalent TeHo3U2 trigonal bipyramids, edges with four equivalent TeHo2U3 square pyramids, and edges with two equivalent TeHo3U2 trigonal bipyramids. In the third Te2- site, Te2- is bonded to two equivalent U3+ and three equivalent Ho3+ atoms to form distorted TeHo3U2 trigonal bipyramids that share corners with eight equivalent TeHo2U3 square pyramids, edges with two equivalent TeHo2U3 square pyramids, and edges with four equivalent TeHo3U2 trigonal bipyramids.

36 MATERIALS SCIENCE↗