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Title: Materials Data on Ba2H8PtO8 by Materials Project

Abstract

Ba2PtH8O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to one H1+ and seven O2- atoms. The Ba–H bond length is 2.77 Å. There are a spread of Ba–O bond distances ranging from 2.75–2.93 Å. Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.04 Å) and two longer (2.05 Å) Pt–O bond lengths. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Ba2+ and one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Pt4+, and one H1+ atom.more » In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Ba2+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Pt4+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Pt4+, and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-1200998
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; Ba2H8PtO8; Ba-H-O-Pt
OSTI Identifier:
1707509
DOI:
https://doi.org/10.17188/1707509

Citation Formats

The Materials Project. Materials Data on Ba2H8PtO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707509.
The Materials Project. Materials Data on Ba2H8PtO8 by Materials Project. United States. doi:https://doi.org/10.17188/1707509
The Materials Project. 2020. "Materials Data on Ba2H8PtO8 by Materials Project". United States. doi:https://doi.org/10.17188/1707509. https://www.osti.gov/servlets/purl/1707509. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1707509,
title = {Materials Data on Ba2H8PtO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2PtH8O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to one H1+ and seven O2- atoms. The Ba–H bond length is 2.77 Å. There are a spread of Ba–O bond distances ranging from 2.75–2.93 Å. Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.04 Å) and two longer (2.05 Å) Pt–O bond lengths. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Ba2+ and one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Pt4+, and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Ba2+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Pt4+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Pt4+, and one H1+ atom.},
doi = {10.17188/1707509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}