U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnRe2(HO5)2 by Materials Project
Abstract
Mn(ReO5)2H2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two hydrogen molecules and two Mn(ReO5)2 ribbons oriented in the (0, 1, 0) direction. In each Mn(ReO5)2 ribbon, 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 16°. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There are two shorter (1.95 Å) and four longer (2.06 Å) Mn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Re7+ and one Mn4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210961
- 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:
- 1749320
- DOI:
- https://doi.org/10.17188/1749320
Citation Formats
The Materials Project. Materials Data on MnRe2(HO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749320.
The Materials Project. Materials Data on MnRe2(HO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749320
The Materials Project. 2020.
"Materials Data on MnRe2(HO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749320. https://www.osti.gov/servlets/purl/1749320. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749320,
title = {Materials Data on MnRe2(HO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(ReO5)2H2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two hydrogen molecules and two Mn(ReO5)2 ribbons oriented in the (0, 1, 0) direction. In each Mn(ReO5)2 ribbon, 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 16°. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There are two shorter (1.95 Å) and four longer (2.06 Å) Mn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Re7+ and one Mn4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.},
doi = {10.17188/1749320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}