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Title: Materials Data on LaTe2Se by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207780· OSTI ID:1207780

LaSeTe2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LaSeTe2 sheets oriented in the (0, 1, 0) direction. La3+ is bonded in a 5-coordinate geometry to four Te1- and five equivalent Se1- atoms. All La–Te bond lengths are 3.46 Å. There are one shorter (3.06 Å) and four longer (3.14 Å) La–Se bond lengths. There are two inequivalent Te1- sites. In the first 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 3.07 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent La3+ and four equivalent Te1- atoms. Se1- is bonded to five equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 square pyramids.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1207780
Report Number(s):
mp-4034
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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