U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2Mn3(AsO)2 by Materials Project
Abstract
Sr2Mn3(AsO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.38 Å. All Sr–O bond lengths are 2.68 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a square co-planar geometry to two equivalent As3- and four equivalent O2- atoms. Both Mn–As bond lengths are 3.19 Å. All Mn–O bond lengths are 2.12 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing MnAs4 tetrahedra. All Mn–As bond lengths are 2.68 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five Mn2+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-19060
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Mn-O-Sr; Sr2Mn3(AsO)2; crystal structure
- OSTI Identifier:
- 1193843
- DOI:
- https://doi.org/10.17188/1193843
Citation Formats
Materials Data on Sr2Mn3(AsO)2 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1193843.
Materials Data on Sr2Mn3(AsO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1193843
2014.
"Materials Data on Sr2Mn3(AsO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1193843. https://www.osti.gov/servlets/purl/1193843. Pub date:Fri Feb 14 23:00:00 EST 2014
@article{osti_1193843,
title = {Materials Data on Sr2Mn3(AsO)2 by Materials Project},
abstractNote = {Sr2Mn3(AsO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.38 Å. All Sr–O bond lengths are 2.68 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a square co-planar geometry to two equivalent As3- and four equivalent O2- atoms. Both Mn–As bond lengths are 3.19 Å. All Mn–O bond lengths are 2.12 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing MnAs4 tetrahedra. All Mn–As bond lengths are 2.68 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five Mn2+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1193843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}