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Title: Materials Data on GaSe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1283720· OSTI ID:1283720

GaSe2 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ga3+ is bonded to four Se+1.50- atoms to form corner-sharing GaSe4 tetrahedra. There are one shorter (2.41 Å) and three longer (2.43 Å) Ga–Se bond lengths. There are three inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the third Se+1.50- site, Se+1.50- is bonded in a water-like geometry to two equivalent Ga3+ 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:
1283720
Report Number(s):
mp-680721
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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