Materials Data on Na4Al3Si3NO12 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1698739· OSTI ID:1698739

Na4Al3Si3NO12 crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to one N1- and three equivalent O2- atoms to form distorted NaNO3 tetrahedra that share corners with three equivalent NaNO3 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. The Na–N bond length is 2.64 Å. All Na–O bond lengths are 2.36 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent NaNO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaNO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. N1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Al3+, and one Si4+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1698739
• Report Number(s): mp-1210341
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-N-Na-O-Si
Na4Al3Si3NO12
crystal structure