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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2UTe4 by Materials Project

ULa2Te4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U3+ is bonded to eight equivalent Te2- atoms to form distorted UTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent UTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.22 Å) and four longer (3.35 Å) U–Te bond lengths. La+2.50+ is bonded to eight equivalent Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with four equivalent UTe8 hexagonal bipyramids, corners with four equivalent LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with four equivalent UTe8 hexagonal bipyramids, and faces with four equivalent LaTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.24–3.43 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent La+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaUTe6 by Materials Project

ULaTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two ULaTe6 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 3.20–3.25 Å. La3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of La–Te bond distances ranging from 3.29–3.40 Å. 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 3.13 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent La3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.13 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent La3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one La3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent La3+ 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 La2UTe5 by Materials Project

ULa2Te5 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 3.16–3.31 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to seven Te2- atoms to form a mixture of distorted corner and edge-sharing LaTe7 pentagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.15–3.36 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of La–Te bond distances ranging from 3.25–3.38 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 La3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent U4+ and three La3+ atoms. In the third Te2- site, Te2- is bonded to two equivalent U4+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing TeLa3U2 trigonal bipyramids. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to one U4+ and three La3+ atoms. In the fifth Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U4+ and two equivalent La3+ atoms. In the sixth Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent U4+ and two equivalent La3+ atoms.

36 MATERIALS SCIENCE↗