Materials Data on Cu2Te2Br2O5 by Materials Project
Abstract
Cu2Te2O5Br2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Cu2+ is bonded in a 5-coordinate geometry to four O2- and one Br1- atom. There are a spread of Cu–O bond distances ranging from 1.95–2.58 Å. The Cu–Br bond length is 2.40 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Te4+ atoms. Br1- is bonded in a distorted single-bond geometry to one Cu2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-542807
- 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; Cu2Te2Br2O5; Br-Cu-O-Te
- OSTI Identifier:
- 1266734
- DOI:
- https://doi.org/10.17188/1266734
Citation Formats
The Materials Project. Materials Data on Cu2Te2Br2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266734.
The Materials Project. Materials Data on Cu2Te2Br2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1266734
The Materials Project. 2020.
"Materials Data on Cu2Te2Br2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1266734. https://www.osti.gov/servlets/purl/1266734. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266734,
title = {Materials Data on Cu2Te2Br2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2Te2O5Br2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Cu2+ is bonded in a 5-coordinate geometry to four O2- and one Br1- atom. There are a spread of Cu–O bond distances ranging from 1.95–2.58 Å. The Cu–Br bond length is 2.40 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Te4+ atoms. Br1- is bonded in a distorted single-bond geometry to one Cu2+ atom.},
doi = {10.17188/1266734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}