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Title: Materials Data on K2Nd2IrO7 by Materials Project

Abstract

K2Nd2IrO7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to six equivalent O atoms. There are three shorter (2.70 Å) and three longer (2.83 Å) K–O bond lengths. Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.27–2.67 Å. Ir is bonded in an octahedral geometry to six equivalent O atoms. All Ir–O bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nd atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent K, two equivalent Nd, and one Ir atom.

Publication Date:
Other Number(s):
mp-555717
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; K2Nd2IrO7; Ir-K-Nd-O
OSTI Identifier:
1268949
DOI:
10.17188/1268949

Citation Formats

The Materials Project. Materials Data on K2Nd2IrO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268949.
The Materials Project. Materials Data on K2Nd2IrO7 by Materials Project. United States. doi:10.17188/1268949.
The Materials Project. 2020. "Materials Data on K2Nd2IrO7 by Materials Project". United States. doi:10.17188/1268949. https://www.osti.gov/servlets/purl/1268949. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1268949,
title = {Materials Data on K2Nd2IrO7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Nd2IrO7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to six equivalent O atoms. There are three shorter (2.70 Å) and three longer (2.83 Å) K–O bond lengths. Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.27–2.67 Å. Ir is bonded in an octahedral geometry to six equivalent O atoms. All Ir–O bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nd atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent K, two equivalent Nd, and one Ir atom.},
doi = {10.17188/1268949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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