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Title: Materials Data on PRhO4 by Materials Project

Abstract

RhPO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with two equivalent RhO6 octahedra, corners with four PO4 tetrahedra, an edgeedge with one RhO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Rh–O bond distances ranging from 2.04–2.09 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent RhO6 octahedra and corners with six PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (2.05 Å) and two longer (2.08 Å) Rh–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four RhO6 octahedra and an edgeedge with one RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There is two shorter (1.51 Å) and two longer (1.63 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atomsmore » to form PO4 tetrahedra that share corners with six RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There is two shorter (1.53 Å) and two longer (1.60 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rh3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rh3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Rh3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Rh3+ and one P5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-28870
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; PRhO4; O-P-Rh
OSTI Identifier:
1202950
DOI:
https://doi.org/10.17188/1202950

Citation Formats

The Materials Project. Materials Data on PRhO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202950.
The Materials Project. Materials Data on PRhO4 by Materials Project. United States. doi:https://doi.org/10.17188/1202950
The Materials Project. 2020. "Materials Data on PRhO4 by Materials Project". United States. doi:https://doi.org/10.17188/1202950. https://www.osti.gov/servlets/purl/1202950. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1202950,
title = {Materials Data on PRhO4 by Materials Project},
author = {The Materials Project},
abstractNote = {RhPO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with two equivalent RhO6 octahedra, corners with four PO4 tetrahedra, an edgeedge with one RhO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Rh–O bond distances ranging from 2.04–2.09 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent RhO6 octahedra and corners with six PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (2.05 Å) and two longer (2.08 Å) Rh–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four RhO6 octahedra and an edgeedge with one RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There is two shorter (1.51 Å) and two longer (1.63 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There is two shorter (1.53 Å) and two longer (1.60 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rh3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rh3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Rh3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Rh3+ and one P5+ atom.},
doi = {10.17188/1202950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}