U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PtC4S2(BrO)2 by Materials Project
Abstract
PtC5S3(OBr)2PtC2SOBr2CO crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methanol molecules; two PtC2SOBr2 clusters; and two PtC5S3(OBr)2 ribbons oriented in the (1, 0, 0) direction. In each PtC2SOBr2 cluster, Pt2+ is bonded in a bent 120 degrees geometry to one S2- and one Br1- atom. The Pt–S bond length is 2.37 Å. The Pt–Br bond length is 2.75 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted bent 120 degrees geometry to one S2- and one Br1- atom. The C–S bond length is 2.48 Å. The C–Br bond length is 2.13 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.25 Å. S2- is bonded in a 1-coordinate geometry to one Pt2+, two C2+, and one O2- atom. The S–O bond length is 1.38 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one C2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometrymore »
- Publication Date:
- Other Number(s):
- mp-1199674
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-C-O-Pt-S; PtC4S2(BrO)2; crystal structure
- OSTI Identifier:
- 1740459
- DOI:
- https://doi.org/10.17188/1740459
Citation Formats
Materials Data on PtC4S2(BrO)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1740459.
Materials Data on PtC4S2(BrO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740459
2019.
"Materials Data on PtC4S2(BrO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740459. https://www.osti.gov/servlets/purl/1740459. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1740459,
title = {Materials Data on PtC4S2(BrO)2 by Materials Project},
abstractNote = {PtC5S3(OBr)2PtC2SOBr2CO crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methanol molecules; two PtC2SOBr2 clusters; and two PtC5S3(OBr)2 ribbons oriented in the (1, 0, 0) direction. In each PtC2SOBr2 cluster, Pt2+ is bonded in a bent 120 degrees geometry to one S2- and one Br1- atom. The Pt–S bond length is 2.37 Å. The Pt–Br bond length is 2.75 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted bent 120 degrees geometry to one S2- and one Br1- atom. The C–S bond length is 2.48 Å. The C–Br bond length is 2.13 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.25 Å. S2- is bonded in a 1-coordinate geometry to one Pt2+, two C2+, and one O2- atom. The S–O bond length is 1.38 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one C2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt2+ atom. In each PtC5S3(OBr)2 ribbon, Pt2+ is bonded in a rectangular see-saw-like geometry to two S2- and two Br1- atoms. There are one shorter (2.36 Å) and one longer (2.59 Å) Pt–S bond lengths. There are one shorter (2.67 Å) and one longer (2.72 Å) Pt–Br bond lengths. There are five inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a linear geometry to one C2+ and one S2- atom. The C–C bond length is 1.24 Å. The C–S bond length is 1.64 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. In the third C2+ site, C2+ is bonded in a linear geometry to one C2+ and one S2- atom. The C–S bond length is 1.88 Å. In the fourth C2+ site, C2+ is bonded in a distorted linear geometry to one S2- and one O2- atom. The C–S bond length is 2.03 Å. The C–O bond length is 1.52 Å. In the fifth C2+ site, C2+ is bonded in a single-bond geometry to one S2- atom. The C–S bond length is 1.37 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to one Pt2+ and one C2+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Pt2+, one C2+, and one O2- atom. The S–O bond length is 2.42 Å. In the third S2- site, S2- is bonded in a distorted trigonal planar geometry to two C2+ and one O2- atom. The S–O bond length is 3.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one C2+ and two S2- atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Pt2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt2+ atom.},
doi = {10.17188/1740459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}