U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnRe2(HO5)2 by Materials Project
Abstract
Re2Mn(HO5)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Re2Mn(HO5)2 ribbons oriented in the (0, 1, 0) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Re–O bond distances ranging from 1.73–1.77 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There is two shorter (1.85 Å) and four longer (2.09 Å) Mn–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Mn4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one H1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104976
- 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; MnRe2(HO5)2; H-Mn-O-Re
- OSTI Identifier:
- 1686996
- DOI:
- https://doi.org/10.17188/1686996
Citation Formats
The Materials Project. Materials Data on MnRe2(HO5)2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1686996.
The Materials Project. Materials Data on MnRe2(HO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1686996
The Materials Project. 2018.
"Materials Data on MnRe2(HO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1686996. https://www.osti.gov/servlets/purl/1686996. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1686996,
title = {Materials Data on MnRe2(HO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2Mn(HO5)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Re2Mn(HO5)2 ribbons oriented in the (0, 1, 0) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Re–O bond distances ranging from 1.73–1.77 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There is two shorter (1.85 Å) and four longer (2.09 Å) Mn–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Mn4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one H1+ atom.},
doi = {10.17188/1686996},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}