U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaH8PtC4(NO)4 by Materials Project
Abstract
BaPtC4H8(NO)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to four N3- and six O2- atoms. There are two shorter (2.95 Å) and two longer (3.05 Å) Ba–N bond lengths. There are a spread of Ba–O bond distances ranging from 2.87–2.93 Å. Pt2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. All Pt–C bond lengths are 1.99 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Ba2+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Ba2+ and one C2+ atom. 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 bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-720842
- 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; BaH8PtC4(NO)4; Ba-C-H-N-O-Pt
- OSTI Identifier:
- 1287242
- DOI:
- https://doi.org/10.17188/1287242
Citation Formats
The Materials Project. Materials Data on BaH8PtC4(NO)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287242.
The Materials Project. Materials Data on BaH8PtC4(NO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1287242
The Materials Project. 2020.
"Materials Data on BaH8PtC4(NO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1287242. https://www.osti.gov/servlets/purl/1287242. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1287242,
title = {Materials Data on BaH8PtC4(NO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPtC4H8(NO)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to four N3- and six O2- atoms. There are two shorter (2.95 Å) and two longer (3.05 Å) Ba–N bond lengths. There are a spread of Ba–O bond distances ranging from 2.87–2.93 Å. Pt2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. All Pt–C bond lengths are 1.99 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Ba2+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Ba2+ and one C2+ atom. 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 O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Ba2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Ba2+ and two H1+ atoms.},
doi = {10.17188/1287242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}