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Title: Materials Data on Mn2In(CO)9 by Materials Project

Abstract

Mn2In(CO)9 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of eight Mn2In(CO)9 clusters. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a square pyramidal geometry to one In2+ and five C+1.33+ atoms. The Mn–In bond length is 2.63 Å. There are a spread of Mn–C bond distances ranging from 1.82–1.87 Å. In the second Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent In2+ and four C+1.33+ atoms. Both Mn–In bond lengths are 2.64 Å. There is two shorter (1.81 Å) and two longer (1.85 Å) Mn–C bond length. In the third Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent In2+ and four C+1.33+ atoms. Both Mn–In bond lengths are 2.64 Å. There is two shorter (1.80 Å) and two longer (1.86 Å) Mn–C bond length. In2+ is bonded in a 3-coordinate geometry to three Mn2+ atoms. There are nine inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.33+ site, C+1.33+ is bonded in amore » linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the seventh C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-643670
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn2In(CO)9; C-In-Mn-O
OSTI Identifier:
1280341
DOI:
https://doi.org/10.17188/1280341

Citation Formats

The Materials Project. Materials Data on Mn2In(CO)9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1280341.
The Materials Project. Materials Data on Mn2In(CO)9 by Materials Project. United States. doi:https://doi.org/10.17188/1280341
The Materials Project. 2019. "Materials Data on Mn2In(CO)9 by Materials Project". United States. doi:https://doi.org/10.17188/1280341. https://www.osti.gov/servlets/purl/1280341. Pub date:Sat Nov 16 00:00:00 EST 2019
@article{osti_1280341,
title = {Materials Data on Mn2In(CO)9 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2In(CO)9 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of eight Mn2In(CO)9 clusters. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a square pyramidal geometry to one In2+ and five C+1.33+ atoms. The Mn–In bond length is 2.63 Å. There are a spread of Mn–C bond distances ranging from 1.82–1.87 Å. In the second Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent In2+ and four C+1.33+ atoms. Both Mn–In bond lengths are 2.64 Å. There is two shorter (1.81 Å) and two longer (1.85 Å) Mn–C bond length. In the third Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent In2+ and four C+1.33+ atoms. Both Mn–In bond lengths are 2.64 Å. There is two shorter (1.80 Å) and two longer (1.86 Å) Mn–C bond length. In2+ is bonded in a 3-coordinate geometry to three Mn2+ atoms. There are nine inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the seventh C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+1.33+ site, C+1.33+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom.},
doi = {10.17188/1280341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {11}
}