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Title: Materials Data on CaMn28 by Materials Project

Abstract

CaMn28 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to sixteen Mn atoms. There are twelve shorter (2.79 Å) and four longer (2.83 Å) Ca–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to one Ca and fifteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.50–2.86 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to one Ca and eleven Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.23–2.60 Å. In the third Mn site, Mn is bonded in a 1-coordinate geometry to thirteen Mn atoms. There are two shorter (2.59 Å) and four longer (2.61 Å) Mn–Mn bond lengths.

Publication Date:
Other Number(s):
mp-1194089
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; CaMn28; Ca-Mn
OSTI Identifier:
1753076
DOI:
https://doi.org/10.17188/1753076

Citation Formats

The Materials Project. Materials Data on CaMn28 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753076.
The Materials Project. Materials Data on CaMn28 by Materials Project. United States. doi:https://doi.org/10.17188/1753076
The Materials Project. 2020. "Materials Data on CaMn28 by Materials Project". United States. doi:https://doi.org/10.17188/1753076. https://www.osti.gov/servlets/purl/1753076. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1753076,
title = {Materials Data on CaMn28 by Materials Project},
author = {The Materials Project},
abstractNote = {CaMn28 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to sixteen Mn atoms. There are twelve shorter (2.79 Å) and four longer (2.83 Å) Ca–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to one Ca and fifteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.50–2.86 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to one Ca and eleven Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.23–2.60 Å. In the third Mn site, Mn is bonded in a 1-coordinate geometry to thirteen Mn atoms. There are two shorter (2.59 Å) and four longer (2.61 Å) Mn–Mn bond lengths.},
doi = {10.17188/1753076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}