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Materials Data on MnH16C4N(OF2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1288154· OSTI ID:1288154
MnH4(OF2)2N(CH3)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and four MnH4(OF2)2 clusters. In each MnH4(OF2)2 cluster, Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Mn–O bond lengths are 2.31 Å. There is two shorter (1.86 Å) and two longer (1.92 Å) Mn–F bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Mn2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Mn2+ atom.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1288154
Report Number(s):
mp-743971
Country of Publication:
United States
Language:
English

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