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Title: Materials Data on Sm(AlCl4)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275160· OSTI ID:1275160

Sm(AlCl4)2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Sm(AlCl4)2 sheet oriented in the (1, 0, 0) direction. Sm2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.96–2.99 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.17 Å) and one longer (2.18 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sm2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sm2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sm2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Sm2+ and one Al3+ 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:
1275160
Report Number(s):
mp-569569
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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