Materials Data on MnSe2O9 by Materials Project
Abstract
(Mn(SeO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Mn(SeO4)2 sheets oriented in the (0, 0, 1) direction. In each Mn(SeO4)2 sheet, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Se–O bond distances ranging from 1.62–1.72 Å. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Se–O bond distances ranging from 1.63–1.71 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mn and one Se atom. In the second O site, O is bonded in a bent 150 degrees geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1198766
- 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; MnSe2O9; Mn-O-Se
- OSTI Identifier:
- 1724768
- DOI:
- https://doi.org/10.17188/1724768
Citation Formats
The Materials Project. Materials Data on MnSe2O9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1724768.
The Materials Project. Materials Data on MnSe2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1724768
The Materials Project. 2019.
"Materials Data on MnSe2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1724768. https://www.osti.gov/servlets/purl/1724768. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1724768,
title = {Materials Data on MnSe2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {(Mn(SeO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Mn(SeO4)2 sheets oriented in the (0, 0, 1) direction. In each Mn(SeO4)2 sheet, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Se–O bond distances ranging from 1.62–1.72 Å. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Se–O bond distances ranging from 1.63–1.71 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mn and one Se atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mn and one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mn and one Se atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mn and one Se atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mn and one Se atom. In the seventh O site, O is bonded in a single-bond geometry to one Se atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one Se atom.},
doi = {10.17188/1724768},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}