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Title: Materials Data on Te2OsCl12 by Materials Project

Abstract

OsTe2Cl12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one OsTe2Cl12 sheet oriented in the (0, 0, 1) direction. Os4+ is bonded to six Cl1- atoms to form OsCl6 octahedra that share corners with six equivalent TeCl6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are two shorter (2.34 Å) and four longer (2.35 Å) Os–Cl bond lengths. Te4+ is bonded to six Cl1- atoms to form TeCl6 octahedra that share corners with three equivalent OsCl6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Te–Cl bond distances ranging from 2.35–3.01 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Os4+ and one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Os4+ and one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry tomore » one Os4+ and one Te4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-28866
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; Te2OsCl12; Cl-Os-Te
OSTI Identifier:
1202946
DOI:
10.17188/1202946

Citation Formats

The Materials Project. Materials Data on Te2OsCl12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202946.
The Materials Project. Materials Data on Te2OsCl12 by Materials Project. United States. doi:10.17188/1202946.
The Materials Project. 2020. "Materials Data on Te2OsCl12 by Materials Project". United States. doi:10.17188/1202946. https://www.osti.gov/servlets/purl/1202946. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1202946,
title = {Materials Data on Te2OsCl12 by Materials Project},
author = {The Materials Project},
abstractNote = {OsTe2Cl12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one OsTe2Cl12 sheet oriented in the (0, 0, 1) direction. Os4+ is bonded to six Cl1- atoms to form OsCl6 octahedra that share corners with six equivalent TeCl6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are two shorter (2.34 Å) and four longer (2.35 Å) Os–Cl bond lengths. Te4+ is bonded to six Cl1- atoms to form TeCl6 octahedra that share corners with three equivalent OsCl6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Te–Cl bond distances ranging from 2.35–3.01 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Os4+ and one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Os4+ and one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Os4+ and one Te4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.},
doi = {10.17188/1202946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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