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Title: Materials Data on C2(OF2)3 by Materials Project

Abstract

C2(OF2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 1718-18-9 molecules. there are two inequivalent C sites. In the first C site, C is bonded in a tetrahedral geometry to one O and three F atoms. The C–O bond length is 1.40 Å. There is one shorter (1.34 Å) and two longer (1.35 Å) C–F bond length. In the second C site, C is bonded in a tetrahedral geometry to one O and three F atoms. The C–O bond length is 1.41 Å. There is one shorter (1.34 Å) and two longer (1.35 Å) C–F bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one C and one O atom. The O–O bond length is 1.46 Å. In the second O site, O is bonded in a water-like geometry to two O atoms. The O–O bond length is 1.45 Å. In the third O site, O is bonded in a distorted single-bond geometry to one C and one O atom. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to onemore » C atom. In the second F site, F is bonded in a single-bond geometry to one C atom. In the third F site, F is bonded in a single-bond geometry to one C atom. In the fourth F site, F is bonded in a single-bond geometry to one C atom. In the fifth F site, F is bonded in a single-bond geometry to one C atom. In the sixth F site, F is bonded in a single-bond geometry to one C atom.« less

Publication Date:
Other Number(s):
mp-29479
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; C2(OF2)3; C-F-O
OSTI Identifier:
1203958
DOI:
https://doi.org/10.17188/1203958

Citation Formats

The Materials Project. Materials Data on C2(OF2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203958.
The Materials Project. Materials Data on C2(OF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1203958
The Materials Project. 2020. "Materials Data on C2(OF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1203958. https://www.osti.gov/servlets/purl/1203958. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1203958,
title = {Materials Data on C2(OF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {C2(OF2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 1718-18-9 molecules. there are two inequivalent C sites. In the first C site, C is bonded in a tetrahedral geometry to one O and three F atoms. The C–O bond length is 1.40 Å. There is one shorter (1.34 Å) and two longer (1.35 Å) C–F bond length. In the second C site, C is bonded in a tetrahedral geometry to one O and three F atoms. The C–O bond length is 1.41 Å. There is one shorter (1.34 Å) and two longer (1.35 Å) C–F bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one C and one O atom. The O–O bond length is 1.46 Å. In the second O site, O is bonded in a water-like geometry to two O atoms. The O–O bond length is 1.45 Å. In the third O site, O is bonded in a distorted single-bond geometry to one C and one O atom. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one C atom. In the second F site, F is bonded in a single-bond geometry to one C atom. In the third F site, F is bonded in a single-bond geometry to one C atom. In the fourth F site, F is bonded in a single-bond geometry to one C atom. In the fifth F site, F is bonded in a single-bond geometry to one C atom. In the sixth F site, F is bonded in a single-bond geometry to one C atom.},
doi = {10.17188/1203958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}