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Title: Materials Data on Sr4Te3(ClO2)4 by Materials Project

Abstract

Sr4(Te3O8)Cl4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.60–3.08 Å. The Sr–Cl bond length is 3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.56–3.10 Å. The Sr–Cl bond length is 3.10 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.76 Å. There are a spread of Sr–Cl bond distances ranging from 2.96–3.17 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to two O2- and six Cl1- atoms. There are one shorter (2.49 Å) and one longer (2.52 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 2.90–3.41 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a rectangular see-saw-likemore » geometry to four O2- atoms. There are two shorter (1.88 Å) and two longer (2.15 Å) Te–O bond lengths. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There is two shorter (1.89 Å) and one longer (1.93 Å) Te–O bond length. The Te–Cl bond length is 3.20 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There is two shorter (1.88 Å) and one longer (1.92 Å) Te–O bond length. The Te–Cl bond length is 3.28 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the third O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the fourth O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the seventh O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two Te4+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Sr2+ and one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Sr2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a linear geometry to two Sr2+ atoms.« less

Publication Date:
Other Number(s):
mp-1218587
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; Sr4Te3(ClO2)4; Cl-O-Sr-Te
OSTI Identifier:
1726993
DOI:
https://doi.org/10.17188/1726993

Citation Formats

The Materials Project. Materials Data on Sr4Te3(ClO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726993.
The Materials Project. Materials Data on Sr4Te3(ClO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1726993
The Materials Project. 2020. "Materials Data on Sr4Te3(ClO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1726993. https://www.osti.gov/servlets/purl/1726993. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1726993,
title = {Materials Data on Sr4Te3(ClO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4(Te3O8)Cl4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.60–3.08 Å. The Sr–Cl bond length is 3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.56–3.10 Å. The Sr–Cl bond length is 3.10 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.76 Å. There are a spread of Sr–Cl bond distances ranging from 2.96–3.17 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to two O2- and six Cl1- atoms. There are one shorter (2.49 Å) and one longer (2.52 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 2.90–3.41 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.88 Å) and two longer (2.15 Å) Te–O bond lengths. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There is two shorter (1.89 Å) and one longer (1.93 Å) Te–O bond length. The Te–Cl bond length is 3.20 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There is two shorter (1.88 Å) and one longer (1.92 Å) Te–O bond length. The Te–Cl bond length is 3.28 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the third O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the fourth O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the seventh O2- site, O2- is bonded to three Sr2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OSr3Te tetrahedra. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two Te4+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Sr2+ and one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Sr2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a linear geometry to two Sr2+ atoms.},
doi = {10.17188/1726993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}