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DOE OSTI2020

Materials Data on LaTe3 by Materials Project

LaTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of four LaTe3 sheets oriented in the (0, 1, 0) direction. La3+ is bonded in a 5-coordinate geometry to five Te1- atoms. There are one shorter (3.21 Å) and four longer (3.30 Å) La–Te bond lengths. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second Te1- site, Te1- is bonded in a distorted single-bond geometry to one La3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te1- site, Te1- is bonded in a distorted square co-planar geometry to four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaTe3 by Materials Project

LaTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LaTe3 sheets oriented in the (0, 1, 0) direction. La3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.42 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to five equivalent La3+ atoms. 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 3.14 Å. In the third Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent La3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗