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Title: Materials Data on TlInSe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274473· OSTI ID:1274473

TlInSe2 is I4/mcm-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded to four equivalent Se2- atoms to form edge-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 2.73 Å. In3+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. All In–Se bond lengths are 3.47 Å. Se2- is bonded in a distorted L-shaped geometry to two equivalent Tl1+ and four equivalent In3+ atoms.

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:
1274473
Report Number(s):
mp-568517
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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