Materials Data on Er2CO7 by Materials Project

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

DOI:https://doi.org/10.17188/1695930· OSTI ID:1695930

Er2CO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.24–2.77 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.24–2.52 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.31 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Er atoms. In the second O site, O is bonded in a distorted water-like geometry to one Er and one C atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Er atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three Er atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one C atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two Er and one C atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to three Er 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: 1695930
• Report Number(s): mp-1213505
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-Er-O
Er2CO7
crystal structure