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Title: Materials Data on C2O3F2 by Materials Project

Abstract

C2O3F2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight dicarbonic difluoride molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.37 Å) C–O bond length. The C–F bond length is 1.34 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.37 Å) C–O bond length. The C–F bond length is 1.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+more » atom.« less

Publication Date:
Other Number(s):
mp-31306
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; C2O3F2; C-F-O
OSTI Identifier:
1205577
DOI:
10.17188/1205577

Citation Formats

The Materials Project. Materials Data on C2O3F2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205577.
The Materials Project. Materials Data on C2O3F2 by Materials Project. United States. doi:10.17188/1205577.
The Materials Project. 2020. "Materials Data on C2O3F2 by Materials Project". United States. doi:10.17188/1205577. https://www.osti.gov/servlets/purl/1205577. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1205577,
title = {Materials Data on C2O3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {C2O3F2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight dicarbonic difluoride molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.37 Å) C–O bond length. The C–F bond length is 1.34 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.37 Å) C–O bond length. The C–F bond length is 1.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1205577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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