U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2AsP by Materials Project
Abstract
Mn2AsP is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to two equivalent As3- and four equivalent P1- atoms to form a mixture of distorted edge, face, and corner-sharing MnAs2P4 octahedra. The corner-sharing octahedral tilt angles are 51°. There are one shorter (2.36 Å) and one longer (2.45 Å) Mn–As bond lengths. There are two shorter (2.38 Å) and two longer (2.39 Å) Mn–P bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to four equivalent As3- and two equivalent P1- atoms. There are two shorter (2.40 Å) and two longer (2.45 Å) Mn–As bond lengths. There are one shorter (2.26 Å) and one longer (2.60 Å) Mn–P bond lengths. As3- is bonded in a 6-coordinate geometry to six Mn2+ atoms. P1- is bonded in a 6-coordinate geometry to six Mn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1221923
- 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-P; Mn2AsP; crystal structure
- OSTI Identifier:
- 1684589
- DOI:
- https://doi.org/10.17188/1684589
Citation Formats
Materials Data on Mn2AsP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684589.
Materials Data on Mn2AsP by Materials Project. United States. doi:https://doi.org/10.17188/1684589
2020.
"Materials Data on Mn2AsP by Materials Project". United States. doi:https://doi.org/10.17188/1684589. https://www.osti.gov/servlets/purl/1684589. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1684589,
title = {Materials Data on Mn2AsP by Materials Project},
abstractNote = {Mn2AsP is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to two equivalent As3- and four equivalent P1- atoms to form a mixture of distorted edge, face, and corner-sharing MnAs2P4 octahedra. The corner-sharing octahedral tilt angles are 51°. There are one shorter (2.36 Å) and one longer (2.45 Å) Mn–As bond lengths. There are two shorter (2.38 Å) and two longer (2.39 Å) Mn–P bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to four equivalent As3- and two equivalent P1- atoms. There are two shorter (2.40 Å) and two longer (2.45 Å) Mn–As bond lengths. There are one shorter (2.26 Å) and one longer (2.60 Å) Mn–P bond lengths. As3- is bonded in a 6-coordinate geometry to six Mn2+ atoms. P1- is bonded in a 6-coordinate geometry to six Mn2+ atoms.},
doi = {10.17188/1684589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}