Materials Data on GdCO4 by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1655705· OSTI ID:1655705

GdCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Gd–O bond distances ranging from 2.25–2.82 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.30 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Gd atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Gd and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Gd and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three equivalent Gd and one C atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1655705
• Report Number(s): mp-1191361
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-Gd-O
GdCO4
crystal structure