U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3MgC2ClO6 by Materials Project
Abstract
Na3Mg(CO3)2Cl crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.41 Å) and two longer (2.47 Å) Na–O bond lengths. Both Na–Cl bond lengths are 2.88 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.10 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Mg2+, and one C4+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form distorted corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 59°.
- Publication Date:
- Other Number(s):
- mp-23653
- 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-Cl-Mg-Na-O; Na3MgC2ClO6; crystal structure
- OSTI Identifier:
- 1199641
- DOI:
- https://doi.org/10.17188/1199641
Citation Formats
Materials Data on Na3MgC2ClO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199641.
Materials Data on Na3MgC2ClO6 by Materials Project. United States. doi:https://doi.org/10.17188/1199641
2020.
"Materials Data on Na3MgC2ClO6 by Materials Project". United States. doi:https://doi.org/10.17188/1199641. https://www.osti.gov/servlets/purl/1199641. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1199641,
title = {Materials Data on Na3MgC2ClO6 by Materials Project},
abstractNote = {Na3Mg(CO3)2Cl crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.41 Å) and two longer (2.47 Å) Na–O bond lengths. Both Na–Cl bond lengths are 2.88 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.10 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Mg2+, and one C4+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form distorted corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 59°.},
doi = {10.17188/1199641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}