Materials Data on Cu4Te5(ClO3)4 by Materials Project
Cu4Te5O12Cl4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cu2+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.95–2.61 Å. The Cu–Cl bond length is 2.25 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.97 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Te–O bond lengths are 2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1270301
- Report Number(s):
- mp-558364
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Cu2Te2Pb(ClO3)2 by Materials Project
Materials Data on BaCu2Te2(ClO3)2 by Materials Project
Materials Data on SrCu2Te2(ClO3)2 by Materials Project
Dataset
·
Thu Jun 04 00:00:00 EDT 2020
·
OSTI ID:1740169
Materials Data on BaCu2Te2(ClO3)2 by Materials Project
Dataset
·
Mon Jul 20 00:00:00 EDT 2020
·
OSTI ID:1267887
Materials Data on SrCu2Te2(ClO3)2 by Materials Project
Dataset
·
Fri Jul 24 00:00:00 EDT 2020
·
OSTI ID:1269585