Materials Data on Yb2CO7 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1730572· OSTI ID:1730572

Yb2CO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.78 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.56 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.30 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Yb atoms. In the second O site, O is bonded in a water-like geometry to one Yb and one C atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Yb atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Yb atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Yb and one C atom. In the sixth O site, O is bonded in a 1-coordinate geometry to two Yb and one C atom. In the seventh O site, O is bonded in a 2-coordinate geometry to three Yb atoms.

• 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: 1730572
• Report Number(s): mp-1207746
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-O-Yb
Yb2CO7
crystal structure