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Title: Materials Data on Mn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1206920· OSTI ID:1206920

Mn is alpha structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to sixteen Mn atoms. There are twelve shorter (2.67 Å) and four longer (2.71 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a 3-coordinate geometry to sixteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.48–2.83 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.28–2.59 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to twelve Mn atoms. There are one shorter (2.17 Å) and two longer (2.36 Å) Mn–Mn bond lengths.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1206920
Report Number(s):
mp-35
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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