U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoMnO3 by Materials Project
Abstract
HoMnO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.09–2.64 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.12–2.54 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to four O2- atoms to form corner-sharing MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.88–2.15 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent MnO4 tetrahedra, a cornercorner with one MnO5 trigonal bipyramid, and edges with two equivalent MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 2.00–2.19 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+ and three Mn3+ atoms to form distorted corner-sharing OHoMn3 trigonal pyramids. In the second O2- site, O2- is bonded to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1193069
- 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; HoMnO3; Ho-Mn-O
- OSTI Identifier:
- 1655670
- DOI:
- https://doi.org/10.17188/1655670
Citation Formats
The Materials Project. Materials Data on HoMnO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1655670.
The Materials Project. Materials Data on HoMnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1655670
The Materials Project. 2020.
"Materials Data on HoMnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1655670. https://www.osti.gov/servlets/purl/1655670. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1655670,
title = {Materials Data on HoMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HoMnO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.09–2.64 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.12–2.54 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to four O2- atoms to form corner-sharing MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.88–2.15 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent MnO4 tetrahedra, a cornercorner with one MnO5 trigonal bipyramid, and edges with two equivalent MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 2.00–2.19 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+ and three Mn3+ atoms to form distorted corner-sharing OHoMn3 trigonal pyramids. In the second O2- site, O2- is bonded to one Ho3+ and three Mn3+ atoms to form distorted corner-sharing OHoMn3 tetrahedra. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Mn3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Ho3+ and two equivalent Mn3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ho3+ atoms. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ho3+ atoms.},
doi = {10.17188/1655670},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}