U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Mg2Si2O7 by Materials Project
Abstract
K2Mg2Si2O7 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.77 Å) and three longer (2.97 Å) K–O bond lengths. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent MgO6 octahedra. All Mg–O bond lengths are 2.15 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent MgO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There is three shorter (1.65 Å) and one longer (1.72 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to six equivalent K1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, two equivalent Mg2+, and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-1019779
- 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; K-Mg-O-Si; K2Mg2Si2O7; crystal structure
- OSTI Identifier:
- 1350728
- DOI:
- https://doi.org/10.17188/1350728
Citation Formats
Materials Data on K2Mg2Si2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350728.
Materials Data on K2Mg2Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1350728
2020.
"Materials Data on K2Mg2Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1350728. https://www.osti.gov/servlets/purl/1350728. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1350728,
title = {Materials Data on K2Mg2Si2O7 by Materials Project},
abstractNote = {K2Mg2Si2O7 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.77 Å) and three longer (2.97 Å) K–O bond lengths. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent MgO6 octahedra. All Mg–O bond lengths are 2.15 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent MgO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There is three shorter (1.65 Å) and one longer (1.72 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to six equivalent K1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, two equivalent Mg2+, and one Si4+ atom.},
doi = {10.17188/1350728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}