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Title: Materials Data on Cu2Te2Cl2O5 by Materials Project

Abstract

Cu2Te2O5Cl2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Cu2+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.65 Å. The Cu–Cl bond length is 2.24 Å. Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and two equivalent Te4+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.

Publication Date:
Other Number(s):
mp-581276
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; Cu2Te2Cl2O5; Cl-Cu-O-Te
OSTI Identifier:
1276829
DOI:
https://doi.org/10.17188/1276829

Citation Formats

The Materials Project. Materials Data on Cu2Te2Cl2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276829.
The Materials Project. Materials Data on Cu2Te2Cl2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1276829
The Materials Project. 2020. "Materials Data on Cu2Te2Cl2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1276829. https://www.osti.gov/servlets/purl/1276829. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1276829,
title = {Materials Data on Cu2Te2Cl2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2Te2O5Cl2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Cu2+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.65 Å. The Cu–Cl bond length is 2.24 Å. Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and two equivalent Te4+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.},
doi = {10.17188/1276829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}