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Title: Materials Data on LaSe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1280221· OSTI ID:1280221

LaSe is BCT5-derived structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two LaSe sheets oriented in the (0, 0, 1) direction. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to five Se2- atoms to form a mixture of distorted corner and edge-sharing LaSe5 square pyramids. There are four shorter (3.02 Å) and one longer (3.06 Å) La–Se bond lengths. In the second La2+ site, La2+ is bonded to five Se2- atoms to form a mixture of distorted corner and edge-sharing LaSe5 square pyramids. There are four shorter (3.02 Å) and one longer (3.06 Å) La–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five La2+ atoms to form a mixture of distorted corner and edge-sharing SeLa5 square pyramids. In the second Se2- site, Se2- is bonded to five La2+ atoms to form a mixture of distorted corner and edge-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:
1280221
Report Number(s):
mp-642890
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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