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Title: Materials Data on Re2S2O13 by Materials Project

Abstract

Re2S2O13 crystallizes in the orthorhombic Pba2 space group. The structure is two-dimensional and consists of one Re2S2O13 sheet oriented in the (1, 0, 0) direction. Re7+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share a cornercorner with one ReO6 octahedra and corners with three equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Re–O bond distances ranging from 1.70–2.21 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of S–O bond distances ranging from 1.42–1.59 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Re7+ and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Re7+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bondedmore » in a bent 150 degrees geometry to two equivalent Re7+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.« less

Publication Date:
Other Number(s):
mp-974650
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; Re2S2O13; O-Re-S
OSTI Identifier:
1314604
DOI:
https://doi.org/10.17188/1314604

Citation Formats

The Materials Project. Materials Data on Re2S2O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314604.
The Materials Project. Materials Data on Re2S2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1314604
The Materials Project. 2020. "Materials Data on Re2S2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1314604. https://www.osti.gov/servlets/purl/1314604. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1314604,
title = {Materials Data on Re2S2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2S2O13 crystallizes in the orthorhombic Pba2 space group. The structure is two-dimensional and consists of one Re2S2O13 sheet oriented in the (1, 0, 0) direction. Re7+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share a cornercorner with one ReO6 octahedra and corners with three equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Re–O bond distances ranging from 1.70–2.21 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of S–O bond distances ranging from 1.42–1.59 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Re7+ and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Re7+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.},
doi = {10.17188/1314604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}