Materials Data on GdNO5 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1708763· OSTI ID:1708763

GdNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one GdNO5 sheet oriented in the (0, 0, 1) direction. Gd is bonded to seven O atoms to form distorted edge-sharing GdO7 hexagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.30–2.44 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Gd atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Gd and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N 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: 1708763
• Report Number(s): mp-1181339
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Gd-N-O
GdNO5
crystal structure