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Title: Materials Data on Ce2MnN3 by Materials Project

Abstract

Ce2MnN3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce+3.50+ is bonded to seven N3- atoms to form a mixture of distorted corner, edge, and face-sharing CeN7 pentagonal bipyramids. There are a spread of Ce–N bond distances ranging from 2.37–2.58 Å. Mn2+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.90 Å) and two longer (2.02 Å) Mn–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Ce+3.50+ and two equivalent Mn2+ atoms to form NCe4Mn2 octahedra that share corners with fourteen NCe4Mn2 octahedra, edges with two equivalent NCe4Mn2 octahedra, and faces with four equivalent NCe5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second N3- site, N3- is bonded to five equivalent Ce+3.50+ and one Mn2+ atom to form distorted NCe5Mn octahedra that share corners with eleven NCe4Mn2 octahedra, edges with eight equivalent NCe5Mn octahedra, and faces with two equivalent NCe4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°.

Publication Date:
Other Number(s):
mp-10068
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; Ce2MnN3; Ce-Mn-N
OSTI Identifier:
1185097
DOI:
https://doi.org/10.17188/1185097

Citation Formats

The Materials Project. Materials Data on Ce2MnN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185097.
The Materials Project. Materials Data on Ce2MnN3 by Materials Project. United States. doi:https://doi.org/10.17188/1185097
The Materials Project. 2020. "Materials Data on Ce2MnN3 by Materials Project". United States. doi:https://doi.org/10.17188/1185097. https://www.osti.gov/servlets/purl/1185097. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1185097,
title = {Materials Data on Ce2MnN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2MnN3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce+3.50+ is bonded to seven N3- atoms to form a mixture of distorted corner, edge, and face-sharing CeN7 pentagonal bipyramids. There are a spread of Ce–N bond distances ranging from 2.37–2.58 Å. Mn2+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.90 Å) and two longer (2.02 Å) Mn–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Ce+3.50+ and two equivalent Mn2+ atoms to form NCe4Mn2 octahedra that share corners with fourteen NCe4Mn2 octahedra, edges with two equivalent NCe4Mn2 octahedra, and faces with four equivalent NCe5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second N3- site, N3- is bonded to five equivalent Ce+3.50+ and one Mn2+ atom to form distorted NCe5Mn octahedra that share corners with eleven NCe4Mn2 octahedra, edges with eight equivalent NCe5Mn octahedra, and faces with two equivalent NCe4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°.},
doi = {10.17188/1185097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}