Materials Data on Mn(N3O8)2 by Materials Project
Abstract
Mn(NO6)2N2(NO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules; four nitrous acid molecules; and one Mn(NO6)2 sheet oriented in the (1, 0, 0) direction. In the Mn(NO6)2 sheet, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.69–2.10 Å. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ and one O2- atom. The O–O bond length is 2.39 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ and one O2- atom. The O–O bond length is 3.02 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and two O2- atoms. There is one shorter (1.29 Å) and one longer (2.38 Å) O–O bond length. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and three O2- atoms. There are one shorter (2.51 Å) and one longermore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1204446
- 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; Mn(N3O8)2; Mn-N-O
- OSTI Identifier:
- 1708601
- DOI:
- https://doi.org/10.17188/1708601
Citation Formats
The Materials Project. Materials Data on Mn(N3O8)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708601.
The Materials Project. Materials Data on Mn(N3O8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1708601
The Materials Project. 2020.
"Materials Data on Mn(N3O8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1708601. https://www.osti.gov/servlets/purl/1708601. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1708601,
title = {Materials Data on Mn(N3O8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(NO6)2N2(NO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules; four nitrous acid molecules; and one Mn(NO6)2 sheet oriented in the (1, 0, 0) direction. In the Mn(NO6)2 sheet, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.69–2.10 Å. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ and one O2- atom. The O–O bond length is 2.39 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ and one O2- atom. The O–O bond length is 3.02 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and two O2- atoms. There is one shorter (1.29 Å) and one longer (2.38 Å) O–O bond length. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and three O2- atoms. There are one shorter (2.51 Å) and one longer (2.62 Å) O–O bond lengths. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mn2+ and one O2- atom. The O–O bond length is 3.04 Å. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to six O2- atoms.},
doi = {10.17188/1708601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}