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Title: Materials Data on Gd3CCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202256· OSTI ID:1202256

Gd3Cl3C is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Gd is bonded to two equivalent C and four equivalent Cl atoms to form a mixture of edge and corner-sharing GdC2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. Both Gd–C bond lengths are 2.52 Å. There are two shorter (2.80 Å) and two longer (2.91 Å) Gd–Cl bond lengths. C is bonded to six equivalent Gd atoms to form edge-sharing CGd6 octahedra. Cl is bonded in a rectangular see-saw-like geometry to four equivalent Gd 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:
1202256
Report Number(s):
mp-28133
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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