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Title: Materials Data on NdPIr by Materials Project

Abstract

NdIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nd is bonded to six equivalent Ir and six equivalent P atoms to form a mixture of edge and face-sharing NdP6Ir6 cuboctahedra. There are two shorter (3.09 Å) and four longer (3.17 Å) Nd–Ir bond lengths. There are four shorter (3.12 Å) and two longer (3.20 Å) Nd–P bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. There are two shorter (2.37 Å) and one longer (2.38 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. There are two shorter (3.09 Å) and four longer (3.17 Å) Ir–Nd bond lengths. There are two shorter (2.37 Å) and one longer (2.38 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ir atoms.

Publication Date:
Other Number(s):
mp-12922
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; NdPIr; Ir-Nd-P
OSTI Identifier:
1189269
DOI:
https://doi.org/10.17188/1189269

Citation Formats

The Materials Project. Materials Data on NdPIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189269.
The Materials Project. Materials Data on NdPIr by Materials Project. United States. doi:https://doi.org/10.17188/1189269
The Materials Project. 2020. "Materials Data on NdPIr by Materials Project". United States. doi:https://doi.org/10.17188/1189269. https://www.osti.gov/servlets/purl/1189269. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189269,
title = {Materials Data on NdPIr by Materials Project},
author = {The Materials Project},
abstractNote = {NdIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nd is bonded to six equivalent Ir and six equivalent P atoms to form a mixture of edge and face-sharing NdP6Ir6 cuboctahedra. There are two shorter (3.09 Å) and four longer (3.17 Å) Nd–Ir bond lengths. There are four shorter (3.12 Å) and two longer (3.20 Å) Nd–P bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. There are two shorter (2.37 Å) and one longer (2.38 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. There are two shorter (3.09 Å) and four longer (3.17 Å) Ir–Nd bond lengths. There are two shorter (2.37 Å) and one longer (2.38 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ir atoms.},
doi = {10.17188/1189269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}