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Title: Materials Data on Gd2CCl2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203769· OSTI ID:1203769

Gd2CCl2 is MAX Phase-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Gd2CCl2 sheet oriented in the (0, 0, 1) direction. Gd3+ is bonded to three equivalent C4- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing GdC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–C bond lengths are 2.58 Å. All Gd–Cl bond lengths are 2.80 Å. C4- is bonded to six equivalent Gd3+ atoms to form edge-sharing CGd6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Gd3+ 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:
1203769
Report Number(s):
mp-29394
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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