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Title: Materials Data on Ho10Mn13C18 by Materials Project

Abstract

Mn(Ho5(Mn2C3)3)2 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two manganese molecules and one Ho5(Mn2C3)3 framework. In the Ho5(Mn2C3)3 framework, there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to eight C+3.11- atoms to form distorted HoC8 hexagonal bipyramids that share edges with two equivalent HoC8 hexagonal bipyramids, edges with four equivalent HoC6 pentagonal pyramids, and faces with four equivalent HoC8 hexagonal bipyramids. There are four shorter (2.46 Å) and four longer (2.60 Å) Ho–C bond lengths. In the second Ho3+ site, Ho3+ is bonded to six equivalent C+3.11- atoms to form distorted HoC6 pentagonal pyramids that share corners with six equivalent HoC6 pentagonal pyramids and edges with six equivalent HoC8 hexagonal bipyramids. There are three shorter (2.56 Å) and three longer (2.63 Å) Ho–C bond lengths. Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three C+3.11- atoms. There is two shorter (1.86 Å) and one longer (2.06 Å) Mn–C bond length. There are two inequivalent C+3.11- sites. In the first C+3.11- site, C+3.11- is bonded to four Ho3+ and two equivalent Mn2+ atoms to form a mixture of distorted corner and edge-sharing CHo4Mn2 octahedra. The corner-sharingmore » octahedra tilt angles range from 4–69°. In the second C+3.11- site, C+3.11- is bonded in a 7-coordinate geometry to four equivalent Ho3+, two equivalent Mn2+, and one C+3.11- atom. The C–C bond length is 1.38 Å.« less

Publication Date:
Other Number(s):
mp-1199972
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; Ho10Mn13C18; C-Ho-Mn
OSTI Identifier:
1745034
DOI:
https://doi.org/10.17188/1745034

Citation Formats

The Materials Project. Materials Data on Ho10Mn13C18 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1745034.
The Materials Project. Materials Data on Ho10Mn13C18 by Materials Project. United States. doi:https://doi.org/10.17188/1745034
The Materials Project. 2019. "Materials Data on Ho10Mn13C18 by Materials Project". United States. doi:https://doi.org/10.17188/1745034. https://www.osti.gov/servlets/purl/1745034. Pub date:Thu Apr 18 00:00:00 EDT 2019
@article{osti_1745034,
title = {Materials Data on Ho10Mn13C18 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(Ho5(Mn2C3)3)2 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two manganese molecules and one Ho5(Mn2C3)3 framework. In the Ho5(Mn2C3)3 framework, there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to eight C+3.11- atoms to form distorted HoC8 hexagonal bipyramids that share edges with two equivalent HoC8 hexagonal bipyramids, edges with four equivalent HoC6 pentagonal pyramids, and faces with four equivalent HoC8 hexagonal bipyramids. There are four shorter (2.46 Å) and four longer (2.60 Å) Ho–C bond lengths. In the second Ho3+ site, Ho3+ is bonded to six equivalent C+3.11- atoms to form distorted HoC6 pentagonal pyramids that share corners with six equivalent HoC6 pentagonal pyramids and edges with six equivalent HoC8 hexagonal bipyramids. There are three shorter (2.56 Å) and three longer (2.63 Å) Ho–C bond lengths. Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three C+3.11- atoms. There is two shorter (1.86 Å) and one longer (2.06 Å) Mn–C bond length. There are two inequivalent C+3.11- sites. In the first C+3.11- site, C+3.11- is bonded to four Ho3+ and two equivalent Mn2+ atoms to form a mixture of distorted corner and edge-sharing CHo4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 4–69°. In the second C+3.11- site, C+3.11- is bonded in a 7-coordinate geometry to four equivalent Ho3+, two equivalent Mn2+, and one C+3.11- atom. The C–C bond length is 1.38 Å.},
doi = {10.17188/1745034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {4}
}