U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P4H35C4(NO)16 by Materials Project
Abstract
(CN4H7)4P4H7O16 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four aminoguanidinium molecules and one P4H7O16 ribbon oriented in the (1, 0, 0) direction. In the P4H7O16 ribbon, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.13 Å) and one longer (1.30 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.50 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-695113
- 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; P4H35C4(NO)16; C-H-N-O-P
- OSTI Identifier:
- 1284785
- DOI:
- https://doi.org/10.17188/1284785
Citation Formats
The Materials Project. Materials Data on P4H35C4(NO)16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284785.
The Materials Project. Materials Data on P4H35C4(NO)16 by Materials Project. United States. doi:https://doi.org/10.17188/1284785
The Materials Project. 2020.
"Materials Data on P4H35C4(NO)16 by Materials Project". United States. doi:https://doi.org/10.17188/1284785. https://www.osti.gov/servlets/purl/1284785. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1284785,
title = {Materials Data on P4H35C4(NO)16 by Materials Project},
author = {The Materials Project},
abstractNote = {(CN4H7)4P4H7O16 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four aminoguanidinium molecules and one P4H7O16 ribbon oriented in the (1, 0, 0) direction. In the P4H7O16 ribbon, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.13 Å) and one longer (1.30 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.50 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.49 Å) H–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom.},
doi = {10.17188/1284785},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}