U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn4H2C8O17 by Materials Project
Abstract
(MnC2O4)4H2O crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional and consists of two water molecules and one MnC2O4 framework. In the MnC2O4 framework, there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to seven O2- atoms to form distorted edge-sharing MnO7 pentagonal bipyramids. There are a spread of Mn–O bond distances ranging from 2.18–2.37 Å. In the second Mn2+ site, Mn2+ is bonded to seven O2- atoms to form distorted edge-sharing MnO7 pentagonal bipyramids. There are a spread of Mn–O bond distances ranging from 2.18–2.37 Å. There are four inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the third C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. In the fourth C3+more »
- Publication Date:
- Other Number(s):
- mp-1222084
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-H-Mn-O; Mn4H2C8O17; crystal structure
- OSTI Identifier:
- 1711213
- DOI:
- https://doi.org/10.17188/1711213
Citation Formats
Materials Data on Mn4H2C8O17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711213.
Materials Data on Mn4H2C8O17 by Materials Project. United States. doi:https://doi.org/10.17188/1711213
2020.
"Materials Data on Mn4H2C8O17 by Materials Project". United States. doi:https://doi.org/10.17188/1711213. https://www.osti.gov/servlets/purl/1711213. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1711213,
title = {Materials Data on Mn4H2C8O17 by Materials Project},
abstractNote = {(MnC2O4)4H2O crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional and consists of two water molecules and one MnC2O4 framework. In the MnC2O4 framework, there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to seven O2- atoms to form distorted edge-sharing MnO7 pentagonal bipyramids. There are a spread of Mn–O bond distances ranging from 2.18–2.37 Å. In the second Mn2+ site, Mn2+ is bonded to seven O2- atoms to form distorted edge-sharing MnO7 pentagonal bipyramids. There are a spread of Mn–O bond distances ranging from 2.18–2.37 Å. There are four inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the third C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. In the fourth C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Mn2+ and one C3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Mn2+ and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn2+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one C3+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one C3+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one C3+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one C3+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one C3+ atom.},
doi = {10.17188/1711213},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}