Materials Data on Er2CO7 by Materials Project
Abstract
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 sixthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213505
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Er2CO7; C-Er-O
- OSTI Identifier:
- 1695930
- DOI:
- https://doi.org/10.17188/1695930
Citation Formats
The Materials Project. Materials Data on Er2CO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695930.
The Materials Project. Materials Data on Er2CO7 by Materials Project. United States. doi:https://doi.org/10.17188/1695930
The Materials Project. 2020.
"Materials Data on Er2CO7 by Materials Project". United States. doi:https://doi.org/10.17188/1695930. https://www.osti.gov/servlets/purl/1695930. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1695930,
title = {Materials Data on Er2CO7 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1695930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}