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Title: Materials Data on K2PtC2Cl2O5 by Materials Project

Abstract

K2PtC2O5Cl2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.88–3.03 Å. There are a spread of K–Cl bond distances ranging from 3.15–3.30 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to six O2- and two Cl1- atoms. There are a spread of K–O bond distances ranging from 2.76–3.34 Å. There are one shorter (3.32 Å) and one longer (3.59 Å) K–Cl bond lengths. Pt2+ is bonded in a square co-planar geometry to two O2- and two Cl1- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) Pt–O bond lengths. There are one shorter (2.29 Å) and one longer (2.31 Å) Pt–Cl bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degreesmore » geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Pt2+, and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Pt2+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one O2- atom. The O–O bond length is 1.24 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Pt2+ atom.« less

Publication Date:
Other Number(s):
mp-1191429
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; K2PtC2Cl2O5; C-Cl-K-O-Pt
OSTI Identifier:
1743757
DOI:
https://doi.org/10.17188/1743757

Citation Formats

The Materials Project. Materials Data on K2PtC2Cl2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743757.
The Materials Project. Materials Data on K2PtC2Cl2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1743757
The Materials Project. 2020. "Materials Data on K2PtC2Cl2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1743757. https://www.osti.gov/servlets/purl/1743757. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743757,
title = {Materials Data on K2PtC2Cl2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PtC2O5Cl2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.88–3.03 Å. There are a spread of K–Cl bond distances ranging from 3.15–3.30 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to six O2- and two Cl1- atoms. There are a spread of K–O bond distances ranging from 2.76–3.34 Å. There are one shorter (3.32 Å) and one longer (3.59 Å) K–Cl bond lengths. Pt2+ is bonded in a square co-planar geometry to two O2- and two Cl1- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) Pt–O bond lengths. There are one shorter (2.29 Å) and one longer (2.31 Å) Pt–Cl bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Pt2+, and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Pt2+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one O2- atom. The O–O bond length is 1.24 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Pt2+ atom.},
doi = {10.17188/1743757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}