Materials Data on YCO4 by Materials Project

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

DOI:https://doi.org/10.17188/1722345· OSTI ID:1722345

YCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.22–2.83 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Y atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Y and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Y 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: 1722345
• Report Number(s): mp-1191693
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-O-Y
YCO4
crystal structure