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Title: Materials Data on K2P4PtBrO11 by Materials Project

Abstract

K2P4O11PtBr crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of eight bromoplatinum molecules and two K2P4O11 sheets oriented in the (0, 0, 1) direction. In each K2P4O11 sheet, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.22 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.86 Å. There are two inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.48–1.66 Å. In the second P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form edge-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P+4.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ andmore » one P+4.75+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P+4.75+ atoms. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two equivalent P+4.75+ atoms. In the seventh O2- site, O2- is bonded in a distorted L-shaped geometry to one K1+ and two equivalent P+4.75+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226443
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; K2P4PtBrO11; Br-K-O-P-Pt
OSTI Identifier:
1711941
DOI:
https://doi.org/10.17188/1711941

Citation Formats

The Materials Project. Materials Data on K2P4PtBrO11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711941.
The Materials Project. Materials Data on K2P4PtBrO11 by Materials Project. United States. doi:https://doi.org/10.17188/1711941
The Materials Project. 2020. "Materials Data on K2P4PtBrO11 by Materials Project". United States. doi:https://doi.org/10.17188/1711941. https://www.osti.gov/servlets/purl/1711941. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1711941,
title = {Materials Data on K2P4PtBrO11 by Materials Project},
author = {The Materials Project},
abstractNote = {K2P4O11PtBr crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of eight bromoplatinum molecules and two K2P4O11 sheets oriented in the (0, 0, 1) direction. In each K2P4O11 sheet, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.22 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.86 Å. There are two inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.48–1.66 Å. In the second P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form edge-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P+4.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P+4.75+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P+4.75+ atoms. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two equivalent P+4.75+ atoms. In the seventh O2- site, O2- is bonded in a distorted L-shaped geometry to one K1+ and two equivalent P+4.75+ atoms.},
doi = {10.17188/1711941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}