Materials Data on ZnPH7C2N4O5 by Materials Project
Abstract
ZnPO4C2N4H7O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ureidodiaminomethylium molecules and one ZnPO4 sheet oriented in the (0, 0, 1) direction. In the ZnPO4 sheet, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.03 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-699466
- 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; ZnPH7C2N4O5; C-H-N-O-P-Zn
- OSTI Identifier:
- 1285510
- DOI:
- https://doi.org/10.17188/1285510
Citation Formats
The Materials Project. Materials Data on ZnPH7C2N4O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285510.
The Materials Project. Materials Data on ZnPH7C2N4O5 by Materials Project. United States. doi:https://doi.org/10.17188/1285510
The Materials Project. 2020.
"Materials Data on ZnPH7C2N4O5 by Materials Project". United States. doi:https://doi.org/10.17188/1285510. https://www.osti.gov/servlets/purl/1285510. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1285510,
title = {Materials Data on ZnPH7C2N4O5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnPO4C2N4H7O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ureidodiaminomethylium molecules and one ZnPO4 sheet oriented in the (0, 0, 1) direction. In the ZnPO4 sheet, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.03 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom.},
doi = {10.17188/1285510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}