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Title: Materials Data on PtC2S2(O4F)2 by Materials Project

Abstract

PtS2(O3F)2(CO)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight formaldehyde molecules and four PtS2(O3F)2 clusters. In each PtS2(O3F)2 cluster, Pt6+ is bonded in a distorted L-shaped geometry to two O2- atoms. Both Pt–O bond lengths are 2.04 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. The S–F bond length is 1.60 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.43 Å) and one longer (1.53 Å) S–O bond length. The S–F bond length is 1.61 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a single-bondmore » geometry to one S2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one S2+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2+ atom.« less

Publication Date:
Other Number(s):
mp-1196656
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; PtC2S2(O4F)2; C-F-O-Pt-S
OSTI Identifier:
1679776
DOI:
https://doi.org/10.17188/1679776

Citation Formats

The Materials Project. Materials Data on PtC2S2(O4F)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679776.
The Materials Project. Materials Data on PtC2S2(O4F)2 by Materials Project. United States. doi:https://doi.org/10.17188/1679776
The Materials Project. 2020. "Materials Data on PtC2S2(O4F)2 by Materials Project". United States. doi:https://doi.org/10.17188/1679776. https://www.osti.gov/servlets/purl/1679776. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1679776,
title = {Materials Data on PtC2S2(O4F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PtS2(O3F)2(CO)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight formaldehyde molecules and four PtS2(O3F)2 clusters. In each PtS2(O3F)2 cluster, Pt6+ is bonded in a distorted L-shaped geometry to two O2- atoms. Both Pt–O bond lengths are 2.04 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. The S–F bond length is 1.60 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.43 Å) and one longer (1.53 Å) S–O bond length. The S–F bond length is 1.61 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one S2+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2+ atom.},
doi = {10.17188/1679776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}