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Title: Materials Data on P2Ir by Materials Project

Abstract

IrP2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir4+ is bonded to six P2- atoms to form IrP6 octahedra that share corners with eight equivalent IrP6 octahedra, corners with six PPIr3 tetrahedra, and edges with two equivalent IrP6 octahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are a spread of Ir–P bond distances ranging from 2.34–2.43 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to three equivalent Ir4+ and one P2- atom to form PPIr3 tetrahedra that share corners with three equivalent IrP6 octahedra, corners with thirteen PPIr3 tetrahedra, and an edgeedge with one PPIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 67–71°. The P–P bond length is 2.24 Å. In the second P2- site, P2- is bonded to three equivalent Ir4+ and one P2- atom to form PPIr3 tetrahedra that share corners with three equivalent IrP6 octahedra, corners with thirteen PPIr3 tetrahedra, and an edgeedge with one PPIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–78°.

Publication Date:
Other Number(s):
mp-10155
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; P2Ir; Ir-P
OSTI Identifier:
1186683
DOI:
https://doi.org/10.17188/1186683

Citation Formats

The Materials Project. Materials Data on P2Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186683.
The Materials Project. Materials Data on P2Ir by Materials Project. United States. doi:https://doi.org/10.17188/1186683
The Materials Project. 2020. "Materials Data on P2Ir by Materials Project". United States. doi:https://doi.org/10.17188/1186683. https://www.osti.gov/servlets/purl/1186683. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186683,
title = {Materials Data on P2Ir by Materials Project},
author = {The Materials Project},
abstractNote = {IrP2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir4+ is bonded to six P2- atoms to form IrP6 octahedra that share corners with eight equivalent IrP6 octahedra, corners with six PPIr3 tetrahedra, and edges with two equivalent IrP6 octahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are a spread of Ir–P bond distances ranging from 2.34–2.43 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to three equivalent Ir4+ and one P2- atom to form PPIr3 tetrahedra that share corners with three equivalent IrP6 octahedra, corners with thirteen PPIr3 tetrahedra, and an edgeedge with one PPIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 67–71°. The P–P bond length is 2.24 Å. In the second P2- site, P2- is bonded to three equivalent Ir4+ and one P2- atom to form PPIr3 tetrahedra that share corners with three equivalent IrP6 octahedra, corners with thirteen PPIr3 tetrahedra, and an edgeedge with one PPIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–78°.},
doi = {10.17188/1186683},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}