Materials Data on As4N2Cl2O7 by Materials Project
Abstract
N2As4O7Cl2 crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules; one As4O7 sheet oriented in the (0, 0, 1) direction; and one N2 sheet oriented in the (0, 0, 1) direction. In the As4O7 sheet, As5+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ and two equivalent O2- atoms. Both O–O bond lengths are 3.12 Å. In the second O2- site, O2- is bonded to twelve equivalent O2- atoms to form edge-sharing OO12 cuboctahedra. In the N2 sheet, N2- is bonded in a distorted trigonal planar geometry to three equivalent N2- atoms. All N–N bond lengths are 3.08 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105031
- 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; As4N2Cl2O7; As-Cl-N-O
- OSTI Identifier:
- 1721966
- DOI:
- https://doi.org/10.17188/1721966
Citation Formats
The Materials Project. Materials Data on As4N2Cl2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721966.
The Materials Project. Materials Data on As4N2Cl2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1721966
The Materials Project. 2020.
"Materials Data on As4N2Cl2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1721966. https://www.osti.gov/servlets/purl/1721966. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1721966,
title = {Materials Data on As4N2Cl2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {N2As4O7Cl2 crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules; one As4O7 sheet oriented in the (0, 0, 1) direction; and one N2 sheet oriented in the (0, 0, 1) direction. In the As4O7 sheet, As5+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ and two equivalent O2- atoms. Both O–O bond lengths are 3.12 Å. In the second O2- site, O2- is bonded to twelve equivalent O2- atoms to form edge-sharing OO12 cuboctahedra. In the N2 sheet, N2- is bonded in a distorted trigonal planar geometry to three equivalent N2- atoms. All N–N bond lengths are 3.08 Å.},
doi = {10.17188/1721966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}