U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Re2S(ClO2)4 by Materials Project
Abstract
Re2S(O2Cl)4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Re2S(O2Cl)4 ribbons oriented in the (1, 0, 1) direction. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to four O2- and two Cl1- atoms to form distorted ReCl2O4 octahedra that share corners with two equivalent SO4 tetrahedra. There is two shorter (1.71 Å) and two longer (2.25 Å) Re–O bond length. There are one shorter (2.28 Å) and one longer (2.29 Å) Re–Cl bond lengths. In the second Re7+ site, Re7+ is bonded to four O2- and two Cl1- atoms to form distorted ReCl2O4 octahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Re–O bond distances ranging from 1.71–2.23 Å. Both Re–Cl bond lengths are 2.29 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four ReCl2O4 octahedra. The corner-sharing octahedra tilt angles range from 33–39°. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1200983
- 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; Re2S(ClO2)4; Cl-O-Re-S
- OSTI Identifier:
- 1717049
- DOI:
- https://doi.org/10.17188/1717049
Citation Formats
The Materials Project. Materials Data on Re2S(ClO2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717049.
The Materials Project. Materials Data on Re2S(ClO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1717049
The Materials Project. 2020.
"Materials Data on Re2S(ClO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1717049. https://www.osti.gov/servlets/purl/1717049. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1717049,
title = {Materials Data on Re2S(ClO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2S(O2Cl)4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Re2S(O2Cl)4 ribbons oriented in the (1, 0, 1) direction. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to four O2- and two Cl1- atoms to form distorted ReCl2O4 octahedra that share corners with two equivalent SO4 tetrahedra. There is two shorter (1.71 Å) and two longer (2.25 Å) Re–O bond length. There are one shorter (2.28 Å) and one longer (2.29 Å) Re–Cl bond lengths. In the second Re7+ site, Re7+ is bonded to four O2- and two Cl1- atoms to form distorted ReCl2O4 octahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Re–O bond distances ranging from 1.71–2.23 Å. Both Re–Cl bond lengths are 2.29 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four ReCl2O4 octahedra. The corner-sharing octahedra tilt angles range from 33–39°. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.},
doi = {10.17188/1717049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}