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Title: Materials Data on Ho2Mn12P7 by Materials Project

Abstract

Ho2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent P atoms. All Ho–P bond lengths are 2.84 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent P atoms. All Ho–P bond lengths are 2.85 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.32–2.37 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.31 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.34 Å. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances rangingmore » from 2.44–2.55 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.« less

Publication Date:
Other Number(s):
mp-1192228
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; Ho2Mn12P7; Ho-Mn-P
OSTI Identifier:
1750985
DOI:
https://doi.org/10.17188/1750985

Citation Formats

The Materials Project. Materials Data on Ho2Mn12P7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1750985.
The Materials Project. Materials Data on Ho2Mn12P7 by Materials Project. United States. doi:https://doi.org/10.17188/1750985
The Materials Project. 2020. "Materials Data on Ho2Mn12P7 by Materials Project". United States. doi:https://doi.org/10.17188/1750985. https://www.osti.gov/servlets/purl/1750985. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1750985,
title = {Materials Data on Ho2Mn12P7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent P atoms. All Ho–P bond lengths are 2.84 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent P atoms. All Ho–P bond lengths are 2.85 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.32–2.37 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.31 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.34 Å. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.44–2.55 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.},
doi = {10.17188/1750985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}