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Title: Materials Data on K2Pt(I2O)2 by Materials Project

Abstract

K2Pt(OI2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.62 Å) and one longer (2.84 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.95 Å. In the second K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.82 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.53–3.96 Å. In the third K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.81 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.93 Å. In the fourth K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.62 Å) and one longer (2.84 Å) K–O bond lengths. There are a spread of K–I bond distances ranging frommore » 3.54–3.95 Å. In the fifth K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.81 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.96 Å. In the sixth K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.80 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.55–3.98 Å. In the seventh K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.81 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.96 Å. In the eighth K1+ site, K1+ is bonded in a 2-coordinate geometry to two O2- and four I1- atoms. There are one shorter (2.62 Å) and one longer (2.90 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.53–3.95 Å. There are four inequivalent Pt6+ sites. In the first Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. In the second Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. In the third Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. In the fourth Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.92 Å) and one longer (3.19 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.21 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.23 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.21 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.17 Å) O–I bond lengths. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.19 Å) O–I bond lengths. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.22 Å) O–I bond lengths. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.21 Å) O–I bond lengths. There are sixteen inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the sixth I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the seventh I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the eighth I1- site, I1- is bonded in a 1-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the ninth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the tenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the eleventh I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the twelfth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the thirteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the fourteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the fifteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the sixteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1181128
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2Pt(I2O)2; I-K-O-Pt
OSTI Identifier:
1684353
DOI:
https://doi.org/10.17188/1684353

Citation Formats

The Materials Project. Materials Data on K2Pt(I2O)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684353.
The Materials Project. Materials Data on K2Pt(I2O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684353
The Materials Project. 2019. "Materials Data on K2Pt(I2O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684353. https://www.osti.gov/servlets/purl/1684353. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1684353,
title = {Materials Data on K2Pt(I2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Pt(OI2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.62 Å) and one longer (2.84 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.95 Å. In the second K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.82 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.53–3.96 Å. In the third K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.81 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.93 Å. In the fourth K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.62 Å) and one longer (2.84 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.95 Å. In the fifth K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.81 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.96 Å. In the sixth K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.80 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.55–3.98 Å. In the seventh K1+ site, K1+ is bonded in a distorted L-shaped geometry to two O2- and four I1- atoms. There are one shorter (2.63 Å) and one longer (2.81 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.54–3.96 Å. In the eighth K1+ site, K1+ is bonded in a 2-coordinate geometry to two O2- and four I1- atoms. There are one shorter (2.62 Å) and one longer (2.90 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.53–3.95 Å. There are four inequivalent Pt6+ sites. In the first Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. In the second Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. In the third Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. In the fourth Pt6+ site, Pt6+ is bonded in a square co-planar geometry to four I1- atoms. All Pt–I bond lengths are 2.63 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.92 Å) and one longer (3.19 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.21 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.23 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.21 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.17 Å) O–I bond lengths. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.19 Å) O–I bond lengths. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.22 Å) O–I bond lengths. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two I1- atoms. There are one shorter (1.91 Å) and one longer (3.21 Å) O–I bond lengths. There are sixteen inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the sixth I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the seventh I1- site, I1- is bonded in a 4-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the eighth I1- site, I1- is bonded in a 1-coordinate geometry to four K1+, one Pt6+, and one O2- atom. In the ninth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the tenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the eleventh I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the twelfth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the thirteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the fourteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the fifteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom. In the sixteenth I1- site, I1- is bonded in a 1-coordinate geometry to one Pt6+ and one O2- atom.},
doi = {10.17188/1684353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}