Materials Data on Rh7(PbO5)3 by Materials Project
Abstract
Pb3Rh7O15 is Marcasite-derived structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are four inequivalent Rh+3.43+ sites. In the first Rh+3.43+ site, Rh+3.43+ is bonded to six O2- atoms to form a mixture of corner and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are three shorter (2.04 Å) and three longer (2.10 Å) Rh–O bond lengths. In the second Rh+3.43+ site, Rh+3.43+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.02 Å) and four longer (2.05 Å) Rh–O bond lengths. In the third Rh+3.43+ site, Rh+3.43+ is bonded to six equivalent O2- atoms to form edge-sharing RhO6 octahedra. All Rh–O bond lengths are 2.05 Å. In the fourth Rh+3.43+ site, Rh+3.43+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Rh–O bond lengths are 2.04 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.38 Å)more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555277
- 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; Rh7(PbO5)3; O-Pb-Rh
- OSTI Identifier:
- 1268725
- DOI:
- https://doi.org/10.17188/1268725
Citation Formats
The Materials Project. Materials Data on Rh7(PbO5)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268725.
The Materials Project. Materials Data on Rh7(PbO5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1268725
The Materials Project. 2020.
"Materials Data on Rh7(PbO5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1268725. https://www.osti.gov/servlets/purl/1268725. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1268725,
title = {Materials Data on Rh7(PbO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3Rh7O15 is Marcasite-derived structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are four inequivalent Rh+3.43+ sites. In the first Rh+3.43+ site, Rh+3.43+ is bonded to six O2- atoms to form a mixture of corner and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are three shorter (2.04 Å) and three longer (2.10 Å) Rh–O bond lengths. In the second Rh+3.43+ site, Rh+3.43+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.02 Å) and four longer (2.05 Å) Rh–O bond lengths. In the third Rh+3.43+ site, Rh+3.43+ is bonded to six equivalent O2- atoms to form edge-sharing RhO6 octahedra. All Rh–O bond lengths are 2.05 Å. In the fourth Rh+3.43+ site, Rh+3.43+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Rh–O bond lengths are 2.04 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.43 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.43 Å) and four longer (2.71 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Rh+3.43+ and one Pb2+ atom to form distorted corner-sharing ORh3Pb tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.43+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rh+3.43+ and two Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.43+ atoms.},
doi = {10.17188/1268725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}