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Title: Materials Data on TeCF2 by Materials Project

Abstract

CTeF2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four 1,3-ditelluretane, 2,2,4,4-tetrafluoro- molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted water-like geometry to two Te2- and two F1- atoms. There are one shorter (2.23 Å) and one longer (2.24 Å) C–Te bond lengths. There is one shorter (1.37 Å) and one longer (1.38 Å) C–F bond length. In the second C4+ site, C4+ is bonded in a distorted water-like geometry to two Te2- and two F1- atoms. There are one shorter (2.23 Å) and one longer (2.24 Å) C–Te bond lengths. There is one shorter (1.37 Å) and one longer (1.38 Å) C–F bond length. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two C4+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two C4+ atoms. There are four 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. In the thirdmore » F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.« less

Publication Date:
Other Number(s):
mp-28836
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; TeCF2; C-F-Te
OSTI Identifier:
1202881
DOI:
10.17188/1202881

Citation Formats

The Materials Project. Materials Data on TeCF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202881.
The Materials Project. Materials Data on TeCF2 by Materials Project. United States. doi:10.17188/1202881.
The Materials Project. 2020. "Materials Data on TeCF2 by Materials Project". United States. doi:10.17188/1202881. https://www.osti.gov/servlets/purl/1202881. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1202881,
title = {Materials Data on TeCF2 by Materials Project},
author = {The Materials Project},
abstractNote = {CTeF2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four 1,3-ditelluretane, 2,2,4,4-tetrafluoro- molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted water-like geometry to two Te2- and two F1- atoms. There are one shorter (2.23 Å) and one longer (2.24 Å) C–Te bond lengths. There is one shorter (1.37 Å) and one longer (1.38 Å) C–F bond length. In the second C4+ site, C4+ is bonded in a distorted water-like geometry to two Te2- and two F1- atoms. There are one shorter (2.23 Å) and one longer (2.24 Å) C–Te bond lengths. There is one shorter (1.37 Å) and one longer (1.38 Å) C–F bond length. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two C4+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two C4+ atoms. There are four 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. In the third F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1202881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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