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Title: Materials Data on P4PtBrO10 by Materials Project

Abstract

PtP2O5BrP2O5 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four diphosphonate molecules and two PtP2O5Br clusters. In each PtP2O5Br cluster, Pt2+ is bonded in a 2-coordinate geometry to one O2- and one Br1- atom. The Pt–O bond length is 2.09 Å. The Pt–Br bond length is 2.39 Å. There are two inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded in a 4-coordinate geometry to three O2- and one Br1- atom. There are a spread of P–O bond distances ranging from 1.46–1.66 Å. The P–Br bond length is 2.73 Å. In the second 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 1.46–1.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P+4.75+ atoms. In the fourth O2- site, O2- is bonded in a single-bondmore » geometry to one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Pt2+ and one P+4.75+ atom. Br1- is bonded in a distorted bent 120 degrees geometry to one Pt2+ and one P+4.75+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1181124
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; P4PtBrO10; Br-O-P-Pt
OSTI Identifier:
1683174
DOI:
https://doi.org/10.17188/1683174

Citation Formats

The Materials Project. Materials Data on P4PtBrO10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1683174.
The Materials Project. Materials Data on P4PtBrO10 by Materials Project. United States. doi:https://doi.org/10.17188/1683174
The Materials Project. 2019. "Materials Data on P4PtBrO10 by Materials Project". United States. doi:https://doi.org/10.17188/1683174. https://www.osti.gov/servlets/purl/1683174. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1683174,
title = {Materials Data on P4PtBrO10 by Materials Project},
author = {The Materials Project},
abstractNote = {PtP2O5BrP2O5 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four diphosphonate molecules and two PtP2O5Br clusters. In each PtP2O5Br cluster, Pt2+ is bonded in a 2-coordinate geometry to one O2- and one Br1- atom. The Pt–O bond length is 2.09 Å. The Pt–Br bond length is 2.39 Å. There are two inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded in a 4-coordinate geometry to three O2- and one Br1- atom. There are a spread of P–O bond distances ranging from 1.46–1.66 Å. The P–Br bond length is 2.73 Å. In the second 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 1.46–1.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P+4.75+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Pt2+ and one P+4.75+ atom. Br1- is bonded in a distorted bent 120 degrees geometry to one Pt2+ and one P+4.75+ atom.},
doi = {10.17188/1683174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}