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Title: Materials Data on K2PtS15 by Materials Project

Abstract

K2PtS15 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.31–3.70 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to nine S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.22–3.90 Å. Pt4+ is bonded in an octahedral geometry to six S+0.40- atoms. There are a spread of Pt–S bond distances ranging from 2.42–2.44 Å. There are fifteen inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to one K1+, one Pt4+, and one S+0.40- atom. The S–S bond length is 2.03 Å. In the second S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one K1+ and two S+0.40- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) S–S bond lengths. In the third S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.11 Å. In the fourth S+0.40- site, S+0.40- is bonded inmore » a distorted trigonal non-coplanar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the fifth S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two equivalent K1+ and two S+0.40- atoms. In the sixth S+0.40- site, S+0.40- is bonded in a trigonal non-coplanar geometry to one K1+ and two S+0.40- atoms. There are one shorter (2.04 Å) and one longer (2.10 Å) S–S bond lengths. In the seventh S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.08 Å. In the eighth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. Both S–S bond lengths are 2.09 Å. In the ninth S+0.40- site, S+0.40- is bonded in a distorted trigonal planar geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.04 Å. In the tenth S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the eleventh S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+, one Pt4+, and one S+0.40- atom. In the twelfth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two S+0.40- atoms. The S–S bond length is 2.03 Å. In the thirteenth S+0.40- site, S+0.40- is bonded in a distorted trigonal planar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the fourteenth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to two equivalent K1+, one Pt4+, and one S+0.40- atom. The S–S bond length is 2.03 Å. In the fifteenth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two S+0.40- atoms.« less

Publication Date:
Other Number(s):
mp-652663
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; K2PtS15; K-Pt-S
OSTI Identifier:
1281175
DOI:
https://doi.org/10.17188/1281175

Citation Formats

The Materials Project. Materials Data on K2PtS15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281175.
The Materials Project. Materials Data on K2PtS15 by Materials Project. United States. doi:https://doi.org/10.17188/1281175
The Materials Project. 2020. "Materials Data on K2PtS15 by Materials Project". United States. doi:https://doi.org/10.17188/1281175. https://www.osti.gov/servlets/purl/1281175. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1281175,
title = {Materials Data on K2PtS15 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PtS15 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.31–3.70 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to nine S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.22–3.90 Å. Pt4+ is bonded in an octahedral geometry to six S+0.40- atoms. There are a spread of Pt–S bond distances ranging from 2.42–2.44 Å. There are fifteen inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to one K1+, one Pt4+, and one S+0.40- atom. The S–S bond length is 2.03 Å. In the second S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one K1+ and two S+0.40- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) S–S bond lengths. In the third S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.11 Å. In the fourth S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the fifth S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two equivalent K1+ and two S+0.40- atoms. In the sixth S+0.40- site, S+0.40- is bonded in a trigonal non-coplanar geometry to one K1+ and two S+0.40- atoms. There are one shorter (2.04 Å) and one longer (2.10 Å) S–S bond lengths. In the seventh S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.08 Å. In the eighth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. Both S–S bond lengths are 2.09 Å. In the ninth S+0.40- site, S+0.40- is bonded in a distorted trigonal planar geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.04 Å. In the tenth S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the eleventh S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+, one Pt4+, and one S+0.40- atom. In the twelfth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two S+0.40- atoms. The S–S bond length is 2.03 Å. In the thirteenth S+0.40- site, S+0.40- is bonded in a distorted trigonal planar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the fourteenth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to two equivalent K1+, one Pt4+, and one S+0.40- atom. The S–S bond length is 2.03 Å. In the fifteenth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two S+0.40- atoms.},
doi = {10.17188/1281175},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}