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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErUTe4 by Materials Project

UErTe4 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 3.06–3.21 Å. Er3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Er–Te bond distances ranging from 3.05–3.25 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing TeEr2U2 trigonal pyramids. In the second Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing TeEr2U2 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U5+ and two equivalent Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErUTe6 by Materials Project

UErTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UErTe6 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 3.22–3.24 Å. Er3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are five shorter (3.23 Å) and four longer (3.25 Å) Er–Te bond lengths. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.08 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.08 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Er3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Er3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗