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Title: Materials Data on PrPIr by Materials Project

Abstract

PrIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr is bonded to six Ir and six equivalent P atoms to form a mixture of edge and face-sharing PrP6Ir6 cuboctahedra. There are two shorter (3.10 Å) and four longer (3.19 Å) Pr–Ir bond lengths. There are four shorter (3.14 Å) and two longer (3.21 Å) Pr–P bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. In the third Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (3.10 Å) and four longer (3.19 Å) Ir–Pr bond lengths. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry tomore » six equivalent Pr and three Ir atoms.« less

Publication Date:
Other Number(s):
mp-12921
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; PrPIr; Ir-P-Pr
OSTI Identifier:
1189268
DOI:
https://doi.org/10.17188/1189268

Citation Formats

The Materials Project. Materials Data on PrPIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189268.
The Materials Project. Materials Data on PrPIr by Materials Project. United States. doi:https://doi.org/10.17188/1189268
The Materials Project. 2020. "Materials Data on PrPIr by Materials Project". United States. doi:https://doi.org/10.17188/1189268. https://www.osti.gov/servlets/purl/1189268. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189268,
title = {Materials Data on PrPIr by Materials Project},
author = {The Materials Project},
abstractNote = {PrIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr is bonded to six Ir and six equivalent P atoms to form a mixture of edge and face-sharing PrP6Ir6 cuboctahedra. There are two shorter (3.10 Å) and four longer (3.19 Å) Pr–Ir bond lengths. There are four shorter (3.14 Å) and two longer (3.21 Å) Pr–P bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. In the third Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. There are two shorter (3.10 Å) and four longer (3.19 Å) Ir–Pr bond lengths. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry to six equivalent Pr and three Ir atoms.},
doi = {10.17188/1189268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}