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Title: Materials Data on Rb5Pt3(C4O9)3 by Materials Project

Abstract

Rb5Pt3(C4O9)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.24 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.24 Å. In the third Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.40 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.55 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.43 Å. There are four inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planarmore » geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Pt–O bond lengths. In the third Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four O2- atoms. There are one shorter (2.03 Å) and three longer (2.04 Å) Pt–O bond lengths. In the fourth Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Pt–O bond distances ranging from 2.02–2.04 Å. There are twelve 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 (1.23 Å) and one longer (1.32 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 (1.23 Å) and one longer (1.32 Å) C–O bond length. In the third 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 fourth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the fifth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the sixth 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 seventh C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the eighth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. In the ninth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the tenth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. In the eleventh 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 twelfth 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 (1.30 Å) C–O bond length. There are twenty-seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Rb1+, one Pt+0.33+, and one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to three Rb1+ and one C4+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one C4+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to three Rb1+ and one C4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the twenty-first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the twenty-second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C4+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted water-like geometry to two Rb1+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted water-like geometry to two Rb1+ atoms. In the twenty-seventh O2- site, O2- is bonded in a water-like geometry to two Rb1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1200276
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; Rb5Pt3(C4O9)3; C-O-Pt-Rb
OSTI Identifier:
1680420
DOI:
https://doi.org/10.17188/1680420

Citation Formats

The Materials Project. Materials Data on Rb5Pt3(C4O9)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680420.
The Materials Project. Materials Data on Rb5Pt3(C4O9)3 by Materials Project. United States. doi:https://doi.org/10.17188/1680420
The Materials Project. 2019. "Materials Data on Rb5Pt3(C4O9)3 by Materials Project". United States. doi:https://doi.org/10.17188/1680420. https://www.osti.gov/servlets/purl/1680420. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680420,
title = {Materials Data on Rb5Pt3(C4O9)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb5Pt3(C4O9)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.24 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.24 Å. In the third Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.40 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.55 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.43 Å. There are four inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Pt–O bond lengths. In the third Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four O2- atoms. There are one shorter (2.03 Å) and three longer (2.04 Å) Pt–O bond lengths. In the fourth Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Pt–O bond distances ranging from 2.02–2.04 Å. There are twelve 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 (1.23 Å) and one longer (1.32 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 (1.23 Å) and one longer (1.32 Å) C–O bond length. In the third 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 fourth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the fifth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the sixth 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 seventh C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the eighth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. In the ninth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the tenth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. In the eleventh 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 twelfth 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 (1.30 Å) C–O bond length. There are twenty-seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Rb1+, one Pt+0.33+, and one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to three Rb1+ and one C4+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one C4+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to three Rb1+ and one C4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one C4+ atom. In the twenty-first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+0.33+ and one C4+ atom. In the twenty-second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Pt+0.33+, and one C4+ atom. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C4+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted water-like geometry to two Rb1+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted water-like geometry to two Rb1+ atoms. In the twenty-seventh O2- site, O2- is bonded in a water-like geometry to two Rb1+ atoms.},
doi = {10.17188/1680420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}