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Title: Materials Data on NdClO2 by Materials Project

Abstract

NdO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Cl atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.79 Å. There are one shorter (2.83 Å) and two longer (3.05 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.

Publication Date:
Other Number(s):
mp-1206067
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; NdClO2; Cl-Nd-O
OSTI Identifier:
1759585
DOI:
https://doi.org/10.17188/1759585

Citation Formats

The Materials Project. Materials Data on NdClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759585.
The Materials Project. Materials Data on NdClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1759585
The Materials Project. 2020. "Materials Data on NdClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1759585. https://www.osti.gov/servlets/purl/1759585. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759585,
title = {Materials Data on NdClO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Cl atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.79 Å. There are one shorter (2.83 Å) and two longer (3.05 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.},
doi = {10.17188/1759585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}