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Title: Materials Data on Ho2MnRuO7 by Materials Project

Abstract

Ho2MnRuO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.46 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.48 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.97 Å) and four longer (1.98 Å) Mn–O bond length. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent RuO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are four shorter (2.00 Å) and two longer (2.02 Å) Ru–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Ru6+ atoms to form distorted OHo2Ru2more » tetrahedra that share corners with six OHo2Ru2 tetrahedra and an edgeedge with one OHo4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Mn2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ho3+, one Mn2+, and one Ru6+ atom. In the fourth O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1224038
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; Ho2MnRuO7; Ho-Mn-O-Ru
OSTI Identifier:
1713338
DOI:
https://doi.org/10.17188/1713338

Citation Formats

The Materials Project. Materials Data on Ho2MnRuO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1713338.
The Materials Project. Materials Data on Ho2MnRuO7 by Materials Project. United States. doi:https://doi.org/10.17188/1713338
The Materials Project. 2020. "Materials Data on Ho2MnRuO7 by Materials Project". United States. doi:https://doi.org/10.17188/1713338. https://www.osti.gov/servlets/purl/1713338. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1713338,
title = {Materials Data on Ho2MnRuO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2MnRuO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.46 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.48 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.97 Å) and four longer (1.98 Å) Mn–O bond length. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent RuO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are four shorter (2.00 Å) and two longer (2.02 Å) Ru–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Ru6+ atoms to form distorted OHo2Ru2 tetrahedra that share corners with six OHo2Ru2 tetrahedra and an edgeedge with one OHo4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Mn2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ho3+, one Mn2+, and one Ru6+ atom. In the fourth O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra.},
doi = {10.17188/1713338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}