Materials Data on Pr3Mn2Sb3O14 by Materials Project
Abstract
Pr3Mn2Sb3O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.66 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mn–O bond lengths are 2.21 Å. In the second Mn2+ site, Mn2+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with six equivalent SbO6 octahedra. There are two shorter (2.06 Å) and six longer (2.66 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–55°. There are two shorter (1.97 Å) and four longer (2.04 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+, one Mn2+, and one Sb5+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192218
- 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; Pr3Mn2Sb3O14; Mn-O-Pr-Sb
- OSTI Identifier:
- 1727188
- DOI:
- https://doi.org/10.17188/1727188
Citation Formats
The Materials Project. Materials Data on Pr3Mn2Sb3O14 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727188.
The Materials Project. Materials Data on Pr3Mn2Sb3O14 by Materials Project. United States. doi:https://doi.org/10.17188/1727188
The Materials Project. 2020.
"Materials Data on Pr3Mn2Sb3O14 by Materials Project". United States. doi:https://doi.org/10.17188/1727188. https://www.osti.gov/servlets/purl/1727188. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727188,
title = {Materials Data on Pr3Mn2Sb3O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Mn2Sb3O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.66 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mn–O bond lengths are 2.21 Å. In the second Mn2+ site, Mn2+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with six equivalent SbO6 octahedra. There are two shorter (2.06 Å) and six longer (2.66 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–55°. There are two shorter (1.97 Å) and four longer (2.04 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+, one Mn2+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OPr2MnSb tetrahedra. In the second O2- site, O2- is bonded to three equivalent Pr3+ and one Mn2+ atom to form OPr3Mn tetrahedra that share corners with ten OPr3Mn tetrahedra and edges with three equivalent OPr2MnSb tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Pr3+, one Mn2+, and two equivalent Sb5+ atoms.},
doi = {10.17188/1727188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}