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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-555277
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rh7(PbO5)3; O-Pb-Rh
OSTI Identifier:
1268725
DOI:
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:10.17188/1268725.
The Materials Project. 2020. "Materials Data on Rh7(PbO5)3 by Materials Project". United States. doi: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 = {2020},
month = {4}
}

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