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Title: Materials Data on K2PtN3(ClO2)3 by Materials Project

Abstract

K2PtN3(O2Cl)3 crystallizes in the monoclinic P2_1/m 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 two equivalent O2- and six Cl1- atoms. Both K–O bond lengths are 2.90 Å. There are a spread of K–Cl bond distances ranging from 3.29–3.67 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to eight O2- and two equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.76–3.14 Å. Both K–Cl bond lengths are 3.35 Å. Pt6+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. All Pt–Cl bond lengths are 2.40 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.24 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalentmore » K1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one N+2.33+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Pt6+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Pt6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558532
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; K2PtN3(ClO2)3; Cl-K-N-O-Pt
OSTI Identifier:
1270376
DOI:
10.17188/1270376

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2PtN3(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270376.
Persson, Kristin, & Project, Materials. Materials Data on K2PtN3(ClO2)3 by Materials Project. United States. doi:10.17188/1270376.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2PtN3(ClO2)3 by Materials Project". United States. doi:10.17188/1270376. https://www.osti.gov/servlets/purl/1270376. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270376,
title = {Materials Data on K2PtN3(ClO2)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2PtN3(O2Cl)3 crystallizes in the monoclinic P2_1/m 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 two equivalent O2- and six Cl1- atoms. Both K–O bond lengths are 2.90 Å. There are a spread of K–Cl bond distances ranging from 3.29–3.67 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to eight O2- and two equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.76–3.14 Å. Both K–Cl bond lengths are 3.35 Å. Pt6+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. All Pt–Cl bond lengths are 2.40 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.24 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one N+2.33+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Pt6+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Pt6+ atom.},
doi = {10.17188/1270376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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