DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ho2Mn12GaGe11 by Materials Project

Abstract

Ho2Mn12GaGe11 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to one Ga and seven Ge atoms to form distorted HoGaGe7 hexagonal bipyramids that share a cornercorner with one GeHoMn6Ga hexagonal bipyramid and edges with six equivalent HoGaGe7 hexagonal bipyramids. The Ho–Ga bond length is 2.80 Å. There are one shorter (2.80 Å) and six longer (2.99 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to eight Ge atoms to form distorted edge-sharing HoGe8 hexagonal bipyramids. There are a spread of Ho–Ge bond distances ranging from 2.78–2.99 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Ge atoms. Both Mn–Ga bond lengths are 2.70 Å. There are two shorter (2.50 Å) and two longer (2.51 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. Theremore » are a spread of Mn–Ge bond distances ranging from 2.52–2.69 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. Ga is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Ge atom. The Ga–Ge bond length is 2.53 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Ho and six Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Ho and six Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the sixth Ge site, Ge is bonded to one Ho, six equivalent Mn, and one Ga atom to form distorted GeHoMn6Ga hexagonal bipyramids that share a cornercorner with one HoGaGe7 hexagonal bipyramid and corners with six equivalent GeHoMn6Ga hexagonal bipyramids. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Ge atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1224458
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; Ho2Mn12GaGe11; Ga-Ge-Ho-Mn
OSTI Identifier:
1705911
DOI:
https://doi.org/10.17188/1705911

Citation Formats

The Materials Project. Materials Data on Ho2Mn12GaGe11 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705911.
The Materials Project. Materials Data on Ho2Mn12GaGe11 by Materials Project. United States. doi:https://doi.org/10.17188/1705911
The Materials Project. 2019. "Materials Data on Ho2Mn12GaGe11 by Materials Project". United States. doi:https://doi.org/10.17188/1705911. https://www.osti.gov/servlets/purl/1705911. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1705911,
title = {Materials Data on Ho2Mn12GaGe11 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2Mn12GaGe11 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to one Ga and seven Ge atoms to form distorted HoGaGe7 hexagonal bipyramids that share a cornercorner with one GeHoMn6Ga hexagonal bipyramid and edges with six equivalent HoGaGe7 hexagonal bipyramids. The Ho–Ga bond length is 2.80 Å. There are one shorter (2.80 Å) and six longer (2.99 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to eight Ge atoms to form distorted edge-sharing HoGe8 hexagonal bipyramids. There are a spread of Ho–Ge bond distances ranging from 2.78–2.99 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Ge atoms. Both Mn–Ga bond lengths are 2.70 Å. There are two shorter (2.50 Å) and two longer (2.51 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.69 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. Ga is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Ge atom. The Ga–Ge bond length is 2.53 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Ho and six Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Ho and six Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the sixth Ge site, Ge is bonded to one Ho, six equivalent Mn, and one Ga atom to form distorted GeHoMn6Ga hexagonal bipyramids that share a cornercorner with one HoGaGe7 hexagonal bipyramid and corners with six equivalent GeHoMn6Ga hexagonal bipyramids. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Ge atom.},
doi = {10.17188/1705911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}