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Title: Materials Data on AlGaCl4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1264955· OSTI ID:1264955

GaAlCl4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four GaAlCl4 clusters. Ga is bonded in a 1-coordinate geometry to two Cl atoms. There are one shorter (2.95 Å) and one longer (3.01 Å) Ga–Cl bond lengths. Al is bonded in a tetrahedral geometry to four Cl atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Ga and one Al atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to one Ga and one Al atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Al atom.

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:
1264955
Report Number(s):
mp-541111
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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