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Title: Materials Data on KMnH24(C7N4)2 by Materials Project

Abstract

KMn(CN)6(N(CH3)4)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one KMn(CN)6 framework. In the KMn(CN)6 framework, K1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (3.05 Å) and four longer (3.22 Å) K–N bond lengths. Mn2+ is bonded in an octahedral geometry to six C+0.21- atoms. There is two shorter (1.98 Å) and four longer (2.00 Å) Mn–C bond length. There are five inequivalent C+0.21- sites. In the first C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the third C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the fourth C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the fifth C+0.21- site, C+0.21- is bonded in a linear geometry to onemore » Mn2+ and one N3- atom. The C–Mn bond length is 2.00 Å. The C–N bond length is 1.18 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. In the third N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. The N–K bond length is 3.22 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. The N–C bond length is 1.18 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. The N–K bond length is 3.22 Å.« less

Publication Date:
Other Number(s):
mp-698214
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; KMnH24(C7N4)2; C-H-K-Mn-N
OSTI Identifier:
1285304
DOI:
https://doi.org/10.17188/1285304

Citation Formats

The Materials Project. Materials Data on KMnH24(C7N4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285304.
The Materials Project. Materials Data on KMnH24(C7N4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285304
The Materials Project. 2020. "Materials Data on KMnH24(C7N4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285304. https://www.osti.gov/servlets/purl/1285304. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1285304,
title = {Materials Data on KMnH24(C7N4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KMn(CN)6(N(CH3)4)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one KMn(CN)6 framework. In the KMn(CN)6 framework, K1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (3.05 Å) and four longer (3.22 Å) K–N bond lengths. Mn2+ is bonded in an octahedral geometry to six C+0.21- atoms. There is two shorter (1.98 Å) and four longer (2.00 Å) Mn–C bond length. There are five inequivalent C+0.21- sites. In the first C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the third C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the fourth C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–N bond length is 1.18 Å. In the fifth C+0.21- site, C+0.21- is bonded in a linear geometry to one Mn2+ and one N3- atom. The C–Mn bond length is 2.00 Å. The C–N bond length is 1.18 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. In the third N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. The N–K bond length is 3.22 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. The N–C bond length is 1.18 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one K1+ and one C+0.21- atom. The N–K bond length is 3.22 Å.},
doi = {10.17188/1285304},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}