U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb2Cu3Te4(ClO3)4 by Materials Project
Abstract
Cu3Yb2(TeO3)4Cl4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Cu3Yb2(TeO3)4Cl4 sheet oriented in the (0, 0, 1) direction. Yb3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.91 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two Cl1- atoms. Both Cu–O bond lengths are 1.87 Å. There are one shorter (2.19 Å) and one longer (2.21 Å) Cu–Cl bond lengths. In the second Cu2+ site, Cu2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.93–2.20 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.70 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191603
- 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; Yb2Cu3Te4(ClO3)4; Cl-Cu-O-Te-Yb
- OSTI Identifier:
- 1734061
- DOI:
- https://doi.org/10.17188/1734061
Citation Formats
The Materials Project. Materials Data on Yb2Cu3Te4(ClO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1734061.
The Materials Project. Materials Data on Yb2Cu3Te4(ClO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1734061
The Materials Project. 2020.
"Materials Data on Yb2Cu3Te4(ClO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1734061. https://www.osti.gov/servlets/purl/1734061. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1734061,
title = {Materials Data on Yb2Cu3Te4(ClO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3Yb2(TeO3)4Cl4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Cu3Yb2(TeO3)4Cl4 sheet oriented in the (0, 0, 1) direction. Yb3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.91 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two Cl1- atoms. Both Cu–O bond lengths are 1.87 Å. There are one shorter (2.19 Å) and one longer (2.21 Å) Cu–Cl bond lengths. In the second Cu2+ site, Cu2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.93–2.20 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.70 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+, two Cu2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+, one Cu2+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Yb3+, one Cu2+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+, one Cu2+, and one Te4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.},
doi = {10.17188/1734061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}