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Title: Materials Data on CsNdO2 by Materials Project

Abstract

CsNdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.13 Å. Nd3+ is bonded to six equivalent O2- atoms to form edge-sharing NdO6 octahedra. All Nd–O bond lengths are 2.44 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

Publication Date:
Other Number(s):
mp-553308
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; CsNdO2; Cs-Nd-O
OSTI Identifier:
1267611
DOI:
10.17188/1267611

Citation Formats

The Materials Project. Materials Data on CsNdO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267611.
The Materials Project. Materials Data on CsNdO2 by Materials Project. United States. doi:10.17188/1267611.
The Materials Project. 2020. "Materials Data on CsNdO2 by Materials Project". United States. doi:10.17188/1267611. https://www.osti.gov/servlets/purl/1267611. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1267611,
title = {Materials Data on CsNdO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsNdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.13 Å. Nd3+ is bonded to six equivalent O2- atoms to form edge-sharing NdO6 octahedra. All Nd–O bond lengths are 2.44 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.},
doi = {10.17188/1267611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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